SCHEMBL3413895

SCHEMBL3413895

Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNc2ncc(Br)cn2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.72
HCRTR2 O43614 6/20 0.69

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
SCHEMBL3417414 0.95 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL3417411 0.95 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL3412726 0.92 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL3415226 0.91 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL1339868 0.91 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL3412027 0.91 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL3416003 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL3417439 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2927987 0.88 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1340189 0.88 HCRTR1 (0.57) 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