SCHEMBL3636735

SCHEMBL3636735

Cc1cccc(-c2sc(C3CC3)nc2C(=O)N2CCCC[C@H]2CNC(=O)c2cc(C)no2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.51
HCRTR2 O43614 20/20 0.51

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
SCHEMBL3365378 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3053735 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3053737 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3056052 0.84 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3052886 0.84 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3053199 0.84 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3053195 0.84 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3637397 0.84 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3052887 0.84 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3056049 0.84 HCRTR1 (0.52) 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 2 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 disclosed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO disclosed