SCHEMBL2446845

SCHEMBL2446845

Cc1nc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(-c2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 14/20 0.50

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
SCHEMBL2446849 1.00 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2450794 0.92 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2450796 0.92 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2444542 0.91 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2444544 0.91 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2442946 0.90 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL2445851 0.90 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2445852 0.90 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2442943 0.90 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL2443218 0.89 HCRTR1 (0.44) 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