SCHEMBL7907730

SCHEMBL7907730

Cc1cnccc1[C@H](CCC(=O)O)C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
NR4A2 P43354 1/20 0.47
GPR132 Q9UNW8 12/20 0.46
CMKLR2 P46091 1/20 0.45
CMKLR1 Q99788 1/20 0.45

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
SCHEMBL7907725 1.00 MAOB (0.48) MAOBNR4A2GPR132CMKLR2CMKLR1
SCHEMBL7910954 0.89 GPR132 (0.49) MAOBGPR132
SCHEMBL7910951 0.89 GPR132 (0.49) MAOBGPR132
SCHEMBL7907454 0.89 GPR132 (0.54) GPR132CMKLR2CMKLR1
SCHEMBL7907451 0.89 GPR132 (0.54) GPR132CMKLR2CMKLR1
SCHEMBL7901041 0.88 MAOB (0.54) MAOBNR4A2
SCHEMBL7900921 0.88 MAOB (0.54) MAOBNR4A2
SCHEMBL7900916 0.88 MAOB (0.54) MAOBNR4A2
Water SCHEMBL7900960 0.88 GPR132 (0.53) GPR132CMKLR2CMKLR1
Water SCHEMBL7900958 0.88 GPR132 (0.53) GPR132CMKLR2CMKLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed