SCHEMBL6590232

SCHEMBL6590232

Cc1[nH]nc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c1Br

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.59
RAF1 P04049 1/20 0.57
MET P08581 1/20 0.54
PDGFRB P09619 1/20 0.54
CDK8 P49336 1/20 0.54
ROCK1 Q13464 1/20 0.54
NTRK3 Q16288 1/20 0.54
NTRK2 Q16620 1/20 0.54
AURKB Q96GD4 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
HTR2A P28223 1/20 0.54
CNR2 P34972 1/20 0.54
MAPT P10636 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
SCHEMBL6587558 0.88 BCHE (0.53) ROCK1CLK4MAPT
SCHEMBL6590857 0.88 RAF1 (0.50) CNR1RAF1METPDGFRBCDK8
SCHEMBL6588831 0.87 MEN1 (0.52) CNR1RAF1METPDGFRBCDK8
SCHEMBL6586829 0.87 MAPT (0.47) CNR1RAF1METPDGFRBCDK8
SCHEMBL6587567 0.87 CNR1 (0.56) CNR1RAF1METPDGFRBCDK8
SCHEMBL6198977 0.83 HTR2A (0.59) ROCK1NTRK2AURKBCLK4HTR2A
SCHEMBL6590586 0.81 PDE5A (0.43) METPDGFRBCDK8ROCK1NTRK3
SCHEMBL6585335 0.80 BDKRB1 (0.53) MAPT
SCHEMBL6585533 0.80 MEN1 (0.53) MAPT
SCHEMBL6587091 0.79 KIT (0.50) ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed