SCHEMBL3413621

SCHEMBL3413621

Cc1nc(-c2cccc(F)c2)c(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CN)s1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.44
HCRTR2 O43614 12/20 0.40
TRPM8 Q7Z2W7 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL3415467 0.89 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3413616 0.86 HCRTR1 (0.40) HCRTR1HCRTR2TRPM8GRM5
SCHEMBL3409384 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2926677 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2931302 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3411924 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2445744 0.80 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1340526 0.79 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL3412047 0.79 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL1339324 0.79 HCRTR1 (0.42) 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