SCHEMBL2925368

SCHEMBL2925368

Cc1cccc(C(=O)N2C[C@H]3C[C@H]3[C@H]2CN)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.41
HCRTR2 O43614 6/20 0.41
S1PR5 Q9H228 1/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
CHRNA7 P36544 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL2931040 0.87 HCRTR2 (0.40) HCRTR1HCRTR2
SCHEMBL2930629 0.86 RORB (0.46) HCRTR1HCRTR2S1PR5
SCHEMBL2925366 0.86 HCRTR1 (0.39) HCRTR1HCRTR2S1PR5CHRNA7TRPV1
SCHEMBL2925423 0.86 CFD (0.40) HCRTR1HCRTR2
SCHEMBL2924244 0.86 CYP46A1 (0.39) HCRTR1HCRTR2
SCHEMBL2930074 0.85 SLC6A7 (0.35) HCRTR1HCRTR2
SCHEMBL2933414 0.85 HCRTR1 (0.38) HCRTR1HCRTR2S1PR5CHRNA7TRPV1
SCHEMBL2928151 0.84 HCRTR2 (0.35) HCRTR1HCRTR2GRIN2B
SCHEMBL2931914 0.84 HCRTR2 (0.39) HCRTR1HCRTR2
SCHEMBL2933639 0.83 PAX8 (0.39) TRPV1GRIN2B

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-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed