SCHEMBL3418180

SCHEMBL3418180

Cc1nc(C(=O)N2CC3C[C@@H]3C2C(N)=O)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.53
HCRTR2 O43614 20/20 0.53

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
SCHEMBL2925365 1.00 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3411017 1.00 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL2442728 0.95 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2442729 0.95 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2802808 0.90 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2923720 0.90 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2445650 0.90 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2445648 0.90 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2926986 0.90 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3409379 0.89 HCRTR1 (0.50) 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 disclosed