SCHEMBL2930469

SCHEMBL2930469

COc1ccc(C(=O)NCC2C3CC3CN2C(=O)c2nc(C)sc2-c2cccc(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 15/20 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
SCHEMBL2930471 1.00 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2930473 1.00 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1340563 0.94 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1340559 0.94 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2931501 0.94 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2931500 0.94 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3411049 0.94 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2929530 0.94 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2927550 0.93 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2927553 0.93 HCRTR1 (0.54) 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-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed