SCHEMBL3362914

SCHEMBL3362914

Cc1cccc(-c2sc(C3CC3)nc2C(=O)N2CCCC[C@H]2CNC(=O)Oc2cccc3cccnc23)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 20/20 0.55

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
SCHEMBL3361410 0.92 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3362250 0.92 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3362361 0.90 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3364093 0.89 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3364039 0.89 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL3639069 0.88 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL3361390 0.87 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL3361098 0.87 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3361974 0.85 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3362050 0.85 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 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