SCHEMBL6965631

SCHEMBL6965631

O=C(O)C(Cl)Cc1cnc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
MAOB P27338 10/20 0.51
PTPN1 P18031 2/20 0.47
ALOX5 P09917 1/20 0.46
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
HPGDS O60760 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
GPR132 Q9UNW8 1/20 0.43

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
SCHEMBL6960868 0.89 MAOB (0.52) CYP3A4MAOBPTPN1PPARGPPARA
SCHEMBL27383098 0.82 MAOB (0.52) CYP3A4MAOBALOX5HPGDS
SCHEMBL6967080 0.80 MAOB (0.58) CYP3A4MAOBPPARGPPARA
SCHEMBL18571362 0.80 CYP3A4 (0.61) CYP3A4MAOBALOX5
SCHEMBL7556111 0.80 PPARG (0.58) MAOBPTPN1PPARGPPARA
SCHEMBL7556849 0.79 MAOB (0.52) MAOBPTPN1
SCHEMBL7550529 0.78 PTPN1 (0.50) CYP3A4MAOBPTPN1PPARG
SCHEMBL11663421 0.78 PPARG (0.65) MAOBPPARGPPARA
SCHEMBL18571363 0.76 CYP3A4 (0.59) CYP3A4MAOBALOX5HPGDS
SCHEMBL20377546 0.76 MAOB (0.76) MAOBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
CN-1071333-C Quinoline derivative NIPPON CHEMIPHAR CO (JP) 2001-09-19 CN disclosed
CN-1170411-A Quinoline derivative NIPPON CHEMIPHAR CO (JP) 1998-01-14 CN disclosed
US-5693651-A HYPOGLYCEMIC AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1997-12-02 US disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed