Phentolamine

Phentolamine

SCHEMBL293522

Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2C

The experimentally established mechanism targets of Phentolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 6/20 1.00
ADRA1D known ✓ P25100 4/20 1.00
ADRA1B known ✓ P35368 3/20 1.00
ADRA2A known ✓ P08913 4/20 0.98
ADRA2C known ✓ P18825 3/20 0.98
ADRA2B known ✓ P18089 2/20 0.98
MAPT P10636 1/20 1.00
CYP2D6 P10635 3/20 0.98
LMNA P02545 2/20 0.98
HTR1A P08908 2/20 0.98
ADORA3 P0DMS8 2/20 0.98
HRH1 P35367 2/20 0.98
KCNH2 Q12809 2/20 0.98
HTR2A P28223 1/20 0.98
HTR2C P28335 1/20 0.98
SLC6A4 P31645 1/20 0.98
CYP2C19 P33261 1/20 0.98
SCN1A P35498 1/20 0.98
OPRK1 P41145 1/20 0.98
HTR2B P41595 1/20 0.98

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phentolamine SCHEMBL9751780 0.99 ADRA1A (1.00) ADRA1AADRA1DADRA1BMAPTADRA2A
Phentolamine SCHEMBL29395338 0.99 ADRA1A (1.00) ADRA1AADRA1DADRA1BMAPTADRA2A
Phentolamine SCHEMBL5653 0.99 ADRA1A (1.00) ADRA1AADRA1DADRA1BMAPTADRA2A
Phentolamine SCHEMBL6431869 0.98 ADRA1A (0.98) ADRA1AADRA1DADRA1BMAPTADRA2A
Phentolamine SCHEMBL9057149 0.98 ADRA1A (0.98) ADRA1AADRA1DADRA1BMAPTADRA2A
Phentolamine SCHEMBL4343423 0.96 ADRA1A (0.93) ADRA1AADRA1DADRA1BMAPTADRA2A
Phentolamine SCHEMBL3764128 0.93 CYP2D6 (0.98) ADRA1AADRA1DADRA1BMAPTADRA2A
Phentolamine SCHEMBL28535560 0.93 ADRA1A (0.89) ADRA1AADRA1DADRA1BMAPTADRA2A
Phentolamine SCHEMBL3938445 0.92 CYP2D6 (1.00) ADRA1AADRA1DADRA1BMAPTADRA2A
Phentolamine SCHEMBL40852 0.92 CYP2D6 (1.00) ADRA1AADRA1DADRA1BMAPTADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 575 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192085-A Method for removing chloride ions in phentolamine 江苏联环药业股份有限公司 2024-12-27 CN claimed
WO-2024028324-A1 MOLECULES FOR THE PREVENTION AND TREATMENT OF NEUROMUSCULAR DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2024-02-08 WO claimed
CN-115417819-B Preparation method of phentolamine mesylate 安徽普利药业有限公司 2023-11-10 CN claimed
CN-115417819-A Preparation method of phentolamine mesylate 安徽普利药业有限公司 2022-12-02 CN claimed
WO-2017100324-A1 COMBINATION THERAPY FOR TREATING FEMALE HYPOACTIVE SEXUAL DESIRE DISORDERS REPROS THERAPEUTICS INC. (US) 2017-06-15 WO claimed
US-20160257952-A1 IDENTIFICATION OF STRUCTURALLY SIMILAR SMALL MOLECULES THAT ENHANCE THERAPEUTIC EXON SKIPPING NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-08 US claimed
CN-103408495-B The synthesis technique of phentolamine mesilate KUNSHAN SANYOU PHARMACEUTICAL MATERIAL CO., LTD. (CN) 2016-02-24 CN claimed
CN-103408495-A Synthesis process of phentolamine mesilate KUNSHAN SANYOU PHARMACEUTICAL MATERIAL CO LTD 2013-11-27 CN claimed
CN-101361725-B External preparation containing phentolamine and preparation method thereof UNIV FUDAN 2011-05-18 CN claimed
US-20100311785-A1 Combination Therapy For Modulating The Human Sexual Response REPROS THERAPEUTICS INC. (US) 2010-12-09 US claimed
EP-0767660-A1 METHODS AND FORMULATIONS FOR MODULATING THE HUMAN SEXUAL RESPONSE ZONAGEN, INC. (US) 1997-04-16 EP claimed
WO-1996033705-A1 METHODS AND FORMULATIONS FOR MODULATING THE HUMAN SEXUAL RESPONSE ZONAGEN, INC. (US) 1996-10-31 WO claimed
US-5565466-A INCREASING BLOOD CIRCULATION BY ADMINISTERING A VASODILATOR AGENT ZONAGEN, INC. (US) 1996-10-15 US claimed
CN-1128950-A Method for modulating human sexual response ZONAGEN INC (US) 1996-08-14 CN claimed
EP-0714300-A4 METHODS FOR MODULATING THE HUMAN SEXUAL RESPONSE ZONAGEN INC (US) 1996-07-24 EP claimed
EP-0714300-A1 METHODS FOR MODULATING THE HUMAN SEXUAL RESPONSE ZONAGEN, INC. (US) 1996-06-05 EP claimed
WO-1995005172-A1 METHODS FOR MODULATING THE HUMAN SEXUAL RESPONSE ZONAGEN, INC. (US) 1995-02-23 WO claimed
US-4659714-A PROLONGATION WITH VASOCONSTRICTORS; REVERSAL WITH ADRENERGIC BLOCKING AGENTS DENTSPLY, LTD. (GB) 1987-04-21 US claimed
EP-0160191-A1 Kit for treating mammals Dentsply Limited (GB) 1985-11-06 EP claimed
US-4532135-A Treating renal damage by administering vasodilator having postsynaptic alpha-adrenoceptor blocking activity and antihyperlipidemic characteristics EDWARDS K DAVID G 1985-07-30 US claimed