SCHEMBL2444545

SCHEMBL2444545

Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2CN)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 14/20 0.55

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
SCHEMBL2442512 0.92 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2445656 0.91 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL2445360 0.91 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2446850 0.91 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL3411991 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3459378 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3413970 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2933527 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1340026 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2923723 0.90 HCRTR1 (0.51) 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-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP claimed