SCHEMBL3413293

SCHEMBL3413293

Cc1ccc(-c2sc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.48
HCRTR2 O43614 16/20 0.48

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
SCHEMBL2930076 1.00 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2445351 0.94 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2445350 0.94 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2927772 0.92 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3416838 0.92 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3415173 0.92 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2799722 0.92 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3413154 0.92 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3415532 0.90 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2925426 0.90 HCRTR1 (0.47) 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 2 patents. 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
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed