SCHEMBL3417606

SCHEMBL3417606

Cc1ccc(-c2sccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2scc3c2OCCO3)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL3417648 0.91 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL1340352 0.87 TSHR (0.41) HCRTR1HCRTR2
SCHEMBL3414519 0.83 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL3417474 0.81 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL3413304 0.79 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1337972 0.78 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3414488 0.78 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL1339976 0.77 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL3415441 0.77 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL3415861 0.76 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 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