SCHEMBL6605156

SCHEMBL6605156

CCCN(CCC)CCOc1cc(NC(=O)c2ccc(-c3cccnc3)cc2)ccc1OC

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.65
HTR2C P28335 1/20 0.57
ABL1 P00519 2/20 0.54
BCR P11274 2/20 0.54
SMPD1 P17405 1/20 0.53
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.49
ABCB1 P08183 1/20 0.49
ROCK2 O75116 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
SCHEMBL6602569 0.90 MCHR1 (0.65) MCHR1HTR2CMAPT
SCHEMBL6606159 0.90 ALDH1A1 (0.56) MCHR1ABL1BCRLMNAMAPT
SCHEMBL6921907 0.90 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6605150 0.88 MCHR1 (0.75) MCHR1HTR2C
SCHEMBL6602923 0.85 MCHR1 (0.64) MCHR1HTR2CMAPT
SCHEMBL6609574 0.84 MCHR1 (0.63) MCHR1HTR2C
SCHEMBL6610208 0.83 MCHR1 (0.63) MCHR1ABL1BCRLMNAMAPT
SCHEMBL6925692 0.83 MCHR1 (0.92) MCHR1HTR2C
SCHEMBL6605998 0.83 MCHR1 (0.64) MCHR1HTR2C
SCHEMBL6605102 0.82 MCHR1 (0.58) MCHR1HTR2CMAPT

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 6 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
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