SCHEMBL4555438

SCHEMBL4555438

CC(C)CC1c2ccc(NC(=O)c3nnc(CCl)s3)cc2CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.38
FFAR1 O14842 12/20 0.37
MTNR1A P48039 1/20 0.35

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
SCHEMBL4553186 0.87 FFAR1 (0.44) FFAR1
SCHEMBL4554892 0.85 FFAR1 (0.43) MTNR1BFFAR1MTNR1A
SCHEMBL4555437 0.84 FFAR1 (0.38) FFAR1
SCHEMBL4555618 0.80 MTNR1B (0.42) MTNR1BMTNR1A
SCHEMBL3665398 0.78 ROCK2 (0.44) MTNR1BMTNR1A
SCHEMBL13347339 0.76 FFAR1 (0.43) FFAR1
SCHEMBL4554534 0.73 MTNR1B (0.40) MTNR1BMTNR1A
SCHEMBL2123940 0.73 MTNR1B (0.47) MTNR1BMTNR1A
SCHEMBL4553185 0.72 FFAR1 (0.45) FFAR1
SCHEMBL14063017 0.72 FFAR1 (0.41) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 WO disclosed