SCHEMBL6589050

SCHEMBL6589050

COc1ccc(CN(C=O)Nc2cccc(-c3n[nH]c(C)c3Br)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
AURKA O14965 4/20 0.34
AURKB Q96GD4 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 3/20 0.34
USP2 O75604 2/20 0.34
GLA P06280 1/20 0.34
ALOX12 P18054 1/20 0.34
TTK P33981 2/20 0.34
MAPK8 P45983 1/20 0.34
MAP2K4 P45985 1/20 0.34
P2RY14 Q15391 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6586575 0.91 MAPT (0.35) HSP90AA1LMNAHTTAURKAAURKB
SCHEMBL6586551 0.89 AURKA (0.36) AURKAMAPTTTKMAP2K4CYP1A2
SCHEMBL6588992 0.89 SMN1; SMN2 (0.36) LMNAHTTNPSR1MAPTGAA
SCHEMBL6586587 0.87 BRAF (0.35) LMNAMAPTGAA
SCHEMBL6591549 0.83 GAA (0.37) HSP90AA1AURKAAURKBNPSR1MAPT
SCHEMBL6591159 0.82 TTK (0.35) LMNAAURKATTKP2RY14
SCHEMBL2950487 0.81 L3MBTL1 (0.46) LMNAHTTMAPTP2RY14ALDH1A1
SCHEMBL6587748 0.79 GAA (0.36) AURKAMAPTGAATTK
SCHEMBL6585359 0.76 NPC1 (0.61) HTTMAPTALDH1A1KDM4E
SCHEMBL6587400 0.75 FPR2 (0.56) LMNAHTTMAPTALDH1A1

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