SCHEMBL6603055

SCHEMBL6603055

COc1ccc(NC(=O)c2csc(-c3ccc(C(F)(F)F)cc3Cl)n2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.58
NPSR1 Q6W5P4 1/20 0.54
HTR2C P28335 1/20 0.48
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
SCD O00767 1/20 0.42
LMNA P02545 1/20 0.42
IDE P14735 1/20 0.42
MAPK10 P53779 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6602624 0.90 NPSR1 (0.54) MCHR1NPSR1HTR2CMAPK1MAPT
SCHEMBL6603061 0.89 NPSR1 (0.54) MCHR1NPSR1HTR2CMAPK1MAPT
SCHEMBL6602613 0.88 MCHR1 (0.66) MCHR1HTR2CMAPK1MAPTSCD
SCHEMBL6604994 0.86 NPSR1 (0.55) MCHR1NPSR1MAPK1MAPTLMNA
SCHEMBL6604146 0.84 MCHR1 (0.51) MCHR1HTR2CKDM4E
SCHEMBL6603803 0.82 MCHR1 (0.63) MCHR1NPSR1HTR2CMAPTLMNA
SCHEMBL6607021 0.82 MCHR1 (0.54) MCHR1HTR2CMAPK1MAPTLMNA
SCHEMBL6602778 0.80 MCHR1 (0.49) MCHR1NPSR1HTR2CMAPTKDM4E
SCHEMBL6615547 0.79 MCHR1 (0.49) MCHR1HTR2CMAPTKDM4E
SCHEMBL6606577 0.78 ALDH1A1 (0.53) MCHR1MAPK1MAPTSCDLMNA

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