SCHEMBL3415877

SCHEMBL3415877

Cc1nc(C(=O)N2CC3C[C@@H]3C2CNC(=O)c2cccc(C(F)(F)F)c2)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.50
HCRTR2 O43614 15/20 0.50

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
SCHEMBL2924470 1.00 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL3415645 1.00 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2924474 1.00 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1338114 1.00 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2924468 1.00 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL3415642 1.00 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1338110 1.00 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1338525 0.93 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2931134 0.93 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1338527 0.93 HCRTR1 (0.55) 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-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed