SCHEMBL6586575

SCHEMBL6586575

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
AURKA O14965 3/20 0.34
AURKB Q96GD4 1/20 0.34
USP2 O75604 2/20 0.33
GLA P06280 1/20 0.33
ALOX12 P18054 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAP2K4 P45985 1/20 0.33

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
SCHEMBL6589050 0.91 HSP90AA1 (0.35) MAPTNPSR1GAACYP1A2CYP2D6
SCHEMBL6591549 0.82 GAA (0.37) MAPTNPSR1GAACYP1A2CYP2D6
SCHEMBL6588992 0.82 SMN1; SMN2 (0.36) MAPTNPSR1GAACYP2C9CYP2C19
SCHEMBL2958818 0.82 L3MBTL1 (0.44) MAPTNPSR1GAACYP1A2CYP2D6
SCHEMBL6586587 0.80 BRAF (0.35) MAPTGAALMNA
SCHEMBL6586551 0.80 AURKA (0.36) MAPTCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6587748 0.77 GAA (0.36) MAPTGAAAURKATTK
SCHEMBL6587400 0.77 FPR2 (0.56) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL6199782 0.76 HTR2A (0.46) MAPTNPSR1GAACYP1A2CYP2D6
SCHEMBL6591159 0.76 TTK (0.35) LMNAAURKATTKMEN1KMT2A

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