SCHEMBL6604265

SCHEMBL6604265

COc1ccc(NC(=O)c2ccc(-c3cccs3)cc2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.70
HTR2C P28335 1/20 0.70
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL6603130 0.93 MCHR1 (0.71) MCHR1HTR2CHDAC1HDAC2
SCHEMBL6604269 0.87 MCHR1 (0.61) MCHR1HTR2CKDM4EMEN1ALDH1A1
SCHEMBL6926340 0.87 MCHR1 (0.92) MCHR1HTR2C
SCHEMBL6569132 0.85 MCHR1 (0.75) MCHR1HTR2CKDM4EMEN1ALDH1A1
SCHEMBL6602562 0.85 MCHR1 (0.75) MCHR1HTR2C
SCHEMBL6923778 0.85 MCHR1 (0.78) MCHR1HTR2C
SCHEMBL6605517 0.85 KMT2A (0.68) MCHR1HTR2CKDM4EMEN1ALDH1A1
SCHEMBL6605095 0.85 MCHR1 (0.67) MCHR1HTR2CKDM4EMEN1ALDH1A1
SCHEMBL6925443 0.84 MCHR1 (0.81) MCHR1HTR2C
SCHEMBL6569176 0.84 MCHR1 (0.72) MCHR1HTR2C

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