SCHEMBL7266646

SCHEMBL7266646

COc1ccc(CCN(C)CCCO)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.79
CYP1A2 P05177 3/20 0.79
CYP2D6 P10635 3/20 0.79
BLM P54132 2/20 0.77
PMP22 Q01453 1/20 0.77
SMPD1 P17405 6/20 0.65
AOC3 Q16853 1/20 0.60
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ABCB1 P08183 4/20 0.54
ABCC1 P33527 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 2/20 0.54
SLC22A1 O15245 1/20 0.54
CACNA1F O60840 1/20 0.54
ABCB11 O95342 1/20 0.54
CHRM2 P08172 1/20 0.54

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
SCHEMBL6574463 0.91 CYP3A4 (0.84) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL18239557 0.91 CYP3A4 (0.90) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL7430428 0.89 CYP1A2 (1.00) CYP3A4CYP1A2CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL7194533 0.87 BLM (1.00) CYP3A4CYP1A2CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL29651387 0.87 BLM (1.00) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL13969525 0.86 CYP3A4 (0.81) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL8828223 0.85 CYP3A4 (0.74) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL6633115 0.85 CYP3A4 (0.79) CYP3A4CYP1A2CYP2D6BLMPMP22
SCHEMBL11546332 0.85 CYP3A4 (0.79) CYP3A4CYP1A2CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL10875595 0.85 PMP22 (0.82) CYP3A4CYP1A2CYP2D6BLMPMP22

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302793-B1 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI ELF (FR) 1993-12-15 EP claimed
US-5215988-A Treating angina, hypertension, arrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-06-01 US claimed
US-5182291-A Angina pectoris, hypotensive, antiarrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-01-26 US claimed
US-5039700-A Cardiovascular disorders, antitumor agents SANOFI (FR) 1991-08-13 US claimed
US-4957925-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS, TREATMENT OF ANGINA SANOFI (FR) 1990-09-18 US claimed
EP-0302793-A2 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same ELF SANOFI (FR) 1989-02-08 EP claimed
EP-0663395-B1 3-(phenylalkylaminoalkyloxy)-5-phenylpyrazole derivatives, process and intermediates for their preparation and their use as cardiac rhythm reduction agent SOLVAY PHARM GMBH (DE) 2001-05-16 EP disclosed
US-5547967-A HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT KALI-CHEMIE PHARMA GMBH (DE) 1996-08-20 US disclosed
EP-0663395-A1 3-(phenylalkylaminoalkyloxy)-5-phenylpyrazole derivatives, process and intermediates for their preparation and their use as cardiac rhythm reduction agent Kali-Chemie Pharma GmbH (DE) 1995-07-19 EP disclosed
US-5215988-A Treating angina, hypertension, arrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-06-01 US disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 US disclosed
US-5039700-A Cardiovascular disorders, antitumor agents SANOFI (FR) 1991-08-13 US disclosed
US-5017579-A Use of aminoalkoxyphenyl derivatives for reducing and/or controlling excessive intraocular pressure SANOFI (FR) 1991-05-21 US disclosed
US-4994474-A Hypotensive agents SANOFI (FR) 1991-02-19 US disclosed
US-4957925-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS, TREATMENT OF ANGINA SANOFI (FR) 1990-09-18 US disclosed
EP-0065229-B1 BENZAZEPINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS PHARMACEUTICAL PREPARATIONS Dr. Karl Thomae GmbH (DE) 1985-08-07 EP disclosed
US-4490369-A HYPOTENSIVE, BRRADYCARDIAL DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 US disclosed
EP-0065229-A1 Benzazepines, process for their preparation and their application as pharmaceutical preparations Dr. Karl Thomae GmbH (DE) 1982-11-24 EP disclosed