SCHEMBL3414488

SCHEMBL3414488

Cc1ccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2cc(C)nn2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.36
HCRTR2 O43614 2/20 0.36

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
SCHEMBL3414514 0.92 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3415789 0.91 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL1338564 0.86 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL3414149 0.82 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL3413437 0.82 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1339872 0.80 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL3415861 0.80 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3416102 0.79 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3415281 0.79 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL3415450 0.79 HCRTR1 (0.36) 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