SCHEMBL6589440

SCHEMBL6589440

Cc1[nH]nc(-c2cccc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)c2)c1Br

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.58
P2RY14 Q15391 6/20 0.55
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
EPHX2 P34913 1/20 0.45
HTR2A P28223 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6198977 0.87 HTR2A (0.59) CDK2HTTEPHX2HTR2AMEN1
SCHEMBL6588594 0.86 NPC1 (0.56) LMNAHTR2AMEN1KMT2ASMN1; SMN2
SCHEMBL6587888 0.83 HTR2A (0.44) LMNAHTR2ASMN1; SMN2KDM4E
SCHEMBL6587221 0.82 P2RY14 (0.55) P2RY14CCNA2CDK2CCNA1LMNA
SCHEMBL6589442 0.82 NLRP3 (0.61) NLRP3P2RY14CCNA2CDK2CCNA1
SCHEMBL6587827 0.82 MAPT (0.49) P2RY14LMNAMEN1KMT2AKDM4E
SCHEMBL2954162 0.81 ALDH1A1 (0.59) NLRP3P2RY14CCNA2CDK2CCNA1
SCHEMBL6587743 0.81 GAA (0.57) CDK2LMNAHTTMEN1KMT2A
SCHEMBL6586514 0.78 RAB9A (0.48) P2RY14LMNASMN1; SMN2ALDH1A1
SCHEMBL6588756 0.76 SMN1; SMN2 (0.56) P2RY14LMNAMEN1KMT2ASMN1; SMN2

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