SCHEMBL3640876

SCHEMBL3640876

Cc1cccc(-c2sc(C3CC3)nc2C(=O)N2CCCC[C@H]2CNC(=O)c2c(C)nc3sccn23)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.66
HCRTR2 O43614 20/20 0.66

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
SCHEMBL3635222 0.92 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL4785147 0.91 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL3638696 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL4739920 0.89 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL3640489 0.89 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3365422 0.88 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3638516 0.87 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1398588 0.87 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL1398521 0.87 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL1398721 0.87 HCRTR1 (0.86) 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