SCHEMBL6609574

SCHEMBL6609574

CCCN(CCC)CCOc1cc(NC(=O)c2ccc(-c3ccccc3)cn2)ccc1OC

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.63
HTR2C P28335 1/20 0.55
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC2A1 P11166 1/20 0.46

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
SCHEMBL6921907 0.88 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6609564 0.87 MCHR1 (0.73) MCHR1HTR2CSLC2A1
SCHEMBL6605156 0.84 MCHR1 (0.65) MCHR1HTR2C
SCHEMBL6603809 0.84 MCHR1 (0.54) MCHR1HTR2CKDM4ENPC1RAB9A
SCHEMBL6605998 0.83 MCHR1 (0.64) MCHR1HTR2C
SCHEMBL6925692 0.81 MCHR1 (0.92) MCHR1HTR2C
SCHEMBL6602569 0.81 MCHR1 (0.65) MCHR1HTR2CKDM4E
SCHEMBL6896989 0.81 MCHR1 (0.67) MCHR1HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6898088 0.81 MCHR1 (0.67) MCHR1HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6604593 0.80 MCHR1 (0.57) MCHR1HTR2CKDM4ENPC1RAB9A

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