SCHEMBL3638696

SCHEMBL3638696

Cc1ccc(-c2sc(C3CC3)nc2C(=O)N2CCCC[C@H]2CNC(=O)c2c(C)nc3sccn23)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.54
HCRTR2 O43614 15/20 0.54

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
SCHEMBL3640489 0.94 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3639860 0.92 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3640876 0.91 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL3007909 0.88 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3359733 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3006442 0.88 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3635222 0.88 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3638516 0.87 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1398644 0.86 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1398551 0.86 HCRTR1 (0.71) HCRTR1HCRTR2

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
EP-2155739-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-02-24 EP claimed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO claimed
EP-2155739-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-02-24 EP disclosed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO disclosed