SCHEMBL3364063

SCHEMBL3364063

Cn1ccc2cc(OC(=O)NC[C@@H]3CCCCN3C(=O)c3nc(C4CC4)sc3-c3cccc(Cl)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.44
HCRTR2 O43614 20/20 0.44

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
SCHEMBL3361909 0.93 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3361679 0.93 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3361550 0.88 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3365190 0.84 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3365572 0.83 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3365568 0.83 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3360857 0.83 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3361418 0.83 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3365648 0.83 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3362124 0.82 HCRTR1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155739-B1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 EP claimed