SCHEMBL3418012

SCHEMBL3418012

Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(N)=O)c(-c2cccc(F)c2C)s1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.47
HCRTR2 O43614 20/20 0.47
TSPO P30536 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL3417963 0.92 HCRTR1 (0.55) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2924769 0.92 HCRTR1 (0.55) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3415370 0.90 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3413929 0.86 HCRTR1 (0.46) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2928071 0.86 HCRTR1 (0.46) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3412050 0.86 HCRTR1 (0.46) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3413926 0.86 HCRTR1 (0.46) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3418017 0.86 HCRTR1 (0.48) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3415245 0.85 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3411921 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 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 disclosed