SCHEMBL7646291

SCHEMBL7646291

CCN(CC)CCOc1cc(NC(=O)c2ccc(-c3ccccc3)cc2OC)ccc1OC

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.74
HTR2C P28335 1/20 0.56
KDR P35968 3/20 0.56

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
SCHEMBL7678814 0.90 MCHR1 (0.73) MCHR1HTR2CKDR
SCHEMBL6925692 0.89 MCHR1 (0.92) MCHR1HTR2C
SCHEMBL7913510 0.88 MCHR1 (0.66) MCHR1HTR2CKDR
SCHEMBL6926020 0.87 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6923388 0.84 MCHR1 (0.75) MCHR1HTR2C
SCHEMBL6925343 0.83 MCHR1 (0.77) MCHR1HTR2CKDR
SCHEMBL6921907 0.82 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL7922186 0.82 MCHR1 (0.69) MCHR1HTR2CKDR
SCHEMBL6921439 0.81 MCHR1 (0.78) MCHR1HTR2CKDR
SCHEMBL6927209 0.81 MCHR1 (0.78) MCHR1HTR2CKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002511879-A 2002-04-16 JP claimed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP claimed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP claimed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO claimed