SCHEMBL8301429

SCHEMBL8301429

NCCCCCCc1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.67
MAOA P21397 1/20 0.58
HRH1 P35367 4/20 0.57
MAOB P27338 3/20 0.57
HTR2A P28223 1/20 0.52
IGF1R P08069 1/20 0.52
ALOX15 P16050 1/20 0.52
KCNH2 Q12809 4/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL11340620 1.00 TAAR1 (0.67) TAAR1MAOAHRH1MAOBHTR2A
SCHEMBL11337432 1.00 TAAR1 (0.67) TAAR1MAOAHRH1MAOBHTR2A
SCHEMBL11322773 1.00 TAAR1 (0.67) TAAR1MAOAHRH1MAOBHTR2A
SCHEMBL11335508 1.00 TAAR1 (0.67) TAAR1MAOAHRH1MAOBHTR2A
SCHEMBL11337555 1.00 TAAR1 (0.67) TAAR1MAOAHRH1MAOBHTR2A
SCHEMBL11339628 1.00 TAAR1 (0.67) TAAR1MAOAHRH1MAOBHTR2A
SCHEMBL2127830 1.00 TAAR1 (0.67) TAAR1MAOAHRH1MAOBHTR2A
SCHEMBL1570115 0.98 TAAR1 (0.70) TAAR1MAOAHRH1MAOBHTR2A
SCHEMBL632043 0.91 TAAR1 (0.73) TAAR1MAOAHRH1MAOBHTR2A
Hydrochloric Acid SCHEMBL3236109 0.88 TAAR1 (0.70) TAAR1MAOAHRH1MAOBHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
CN-1222907-A Azetidinone derivatives for treatment of atheroscleroses SMITHKLINE BEECHAM PLC (GB) 1999-07-14 CN disclosed
EP-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
CN-1175246-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
EP-0138464-B1 2-AMINO-5-HYDROXY-4-METHYLPYRIMIDINE DERIVATIVES PFIZER INC. (US) 1989-11-15 EP disclosed
US-4673677-A 2-AMINO-5-HYDROXY-4-METHYLPYRIMIDINE PFIZER INC. (US) 1987-06-16 US disclosed
US-4554276-A ENZYME INHIBITORS, ANTIULCER AGENTS PFIZER INC. (US) 1985-11-19 US disclosed
EP-0138464-A2 2-Amino-5-hydroxy-4-methylpyrimidine derivatives PFIZER INC. (US) 1985-04-24 EP disclosed
EP-0002721-B1 PROCESS FOR PREPARING HYDRAZINES BAYER AG (DE) 1981-09-02 EP disclosed
EP-0002721-A2 Process for preparing hydrazines BAYER AG (DE) 1979-07-11 EP disclosed