SCHEMBL6587567

SCHEMBL6587567

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.56
MAPT P10636 4/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
STAT1 P42224 1/20 0.50
KDR P35968 6/20 0.46
PDGFRA P16234 4/20 0.46
ROCK1 Q13464 2/20 0.46
NTRK2 Q16620 2/20 0.46
AURKB Q96GD4 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
NTRK1 P04629 2/20 0.46
KIT P10721 2/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
FLT3 P36888 2/20 0.46

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
SCHEMBL6590232 0.87 CNR1 (0.59) CNR1MAPTROCK1NTRK2AURKB
SCHEMBL6588831 0.85 MEN1 (0.52) CNR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6586829 0.85 MAPT (0.47) CNR1MAPTNPC1MAPK1RAB9A
SCHEMBL6198977 0.83 HTR2A (0.59) MAPTNPC1HTTRAB9AKDR
SCHEMBL6590857 0.81 RAF1 (0.50) CNR1SMN1; SMN2KDRPDGFRAROCK1
SCHEMBL6590586 0.80 PDE5A (0.43) MAPTMAPK1HTTKDRPDGFRA
SCHEMBL2958805 0.78 ALDH1A1 (0.62) CNR1MAPTNPC1MAPK1HTT
SCHEMBL6587574 0.78 CNR1 (0.56) CNR1MAPTNPC1MAPK1HTT
SCHEMBL6585533 0.78 MEN1 (0.53) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6587091 0.77 KIT (0.50) NPC1MAPK1HTTRAB9ASMN1; 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 5 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-1244632-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS Arena Pharmaceuticals, Inc. (US) 2002-10-02 EP disclosed
WO-2001029008-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS ARENA PHARMACEUTICALS, INC. (US) 2001-04-26 WO 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