SCHEMBL3418011

SCHEMBL3418011

COc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(N)=O)c(-c2cccc(C)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.47
HCRTR2 O43614 20/20 0.47

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
SCHEMBL2930445 1.00 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2923720 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2802808 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2932306 0.88 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3413687 0.88 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2932478 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3412036 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2930447 0.86 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3418014 0.86 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3414501 0.85 HCRTR1 (0.50) 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 2 patents. 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
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed