SCHEMBL3640489

SCHEMBL3640489

Cc1nc2sccn2c1C(=O)NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.53
HCRTR2 O43614 18/20 0.53

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
SCHEMBL3639860 0.98 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3638696 0.94 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL4739907 0.92 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL2998136 0.91 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3008467 0.91 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3006442 0.89 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3012084 0.89 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3003390 0.89 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3638516 0.89 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL3640876 0.89 HCRTR1 (0.66) 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