SCHEMBL3414568

SCHEMBL3414568

Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2ccc(Cl)c3occc23)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.49
HCRTR2 O43614 16/20 0.46

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
SCHEMBL3413930 0.92 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2930278 0.90 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL3415367 0.90 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1340943 0.89 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL2440855 0.86 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3417509 0.84 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3415807 0.84 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3417609 0.84 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3414339 0.83 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3415910 0.83 HCRTR1 (0.58) 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