SCHEMBL6603095

SCHEMBL6603095

COc1ccc(NC(=O)c2cncc(Br)c2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.60
HTR2C P28335 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49

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
SCHEMBL6606694 0.89 MCHR1 (0.58) MCHR1HTR2CSMN1; SMN2LMNAMAPT
SCHEMBL7723668 0.88 MCHR1 (0.61) MCHR1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL6603098 0.87 MCHR1 (0.52) MCHR1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL6926745 0.87 MCHR1 (0.71) MCHR1HTR2CSMN1; SMN2ALDH1A1NPC1
SCHEMBL6924013 0.86 MCHR1 (0.71) MCHR1HTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL6606152 0.85 MCHR1 (0.65) MCHR1HTR2CSMN1; SMN2LMNAALDH1A1
SCHEMBL6603020 0.84 MCHR1 (0.58) MCHR1HTR2C
SCHEMBL6602549 0.83 MCHR1 (0.59) MCHR1HTR2C
SCHEMBL6925443 0.83 MCHR1 (0.81) MCHR1HTR2C
SCHEMBL6926161 0.82 MCHR1 (0.76) MCHR1HTR2CSMN1; SMN2ALDH1A1NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed