SCHEMBL6586587

SCHEMBL6586587

COc1cc(CN(C=O)Nc2cccc(-c3n[nH]c(C)c3Br)c2)cc(OC)c1OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.35
ADORA3 P0DMS8 5/20 0.35
ADORA1 P30542 5/20 0.35
FYN P06241 3/20 0.35
MAPT P10636 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
THRB P10828 1/20 0.33
CLK1 P49759 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6588992 0.91 SMN1; SMN2 (0.36) MAPTLMNATHRBSMN1; SMN2HPGD
SCHEMBL6589050 0.87 HSP90AA1 (0.35) MAPTLMNAGAA
SCHEMBL6586551 0.86 AURKA (0.36) MAPTHSD17B10
SCHEMBL6590772 0.83 MAP2K4 (0.33) GAA
SCHEMBL2958211 0.82 L3MBTL1 (0.44) BRAFFYNMAPTLMNATHRB
SCHEMBL6591159 0.80 TTK (0.35) LMNA
SCHEMBL6586575 0.80 MAPT (0.35) MAPTLMNAGAA
SCHEMBL6585821 0.77 BRAF (0.47) BRAFFYNMAPTMAOAMAOB
SCHEMBL6199455 0.76 HTR2A (0.43) BRAFCLK1SMN1; SMN2
SCHEMBL6591549 0.74 GAA (0.37) ADORA3MAPTGAA

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