SCHEMBL3415735

SCHEMBL3415735

Cc1cccc(-c2sc(N)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2c(C)nc3sccn23)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.65
HCRTR2 O43614 14/20 0.65

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
SCHEMBL2450592 0.96 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL3415770 0.93 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2447344 0.93 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3416237 0.93 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL3416905 0.91 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL2440857 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL2440848 0.89 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL2446890 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3417444 0.89 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1340330 0.89 HCRTR1 (0.80) 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