SCHEMBL2929613

SCHEMBL2929613

Cc1ccc(-c2cccc(Cl)c2)c(C(=O)N2C[C@H]3C[C@H]3[C@H]2C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.44
HCRTR1 O43613 13/20 0.41
HCRTR2 O43614 12/20 0.41
CFD P00746 1/20 0.35
PDE4B Q07343 1/20 0.35
DHODH Q02127 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
SCHEMBL2930271 0.92 CHRM1 (0.44) CHRM1HCRTR1HCRTR2CFDPDE4B
SCHEMBL2929940 0.92 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL2928729 0.89 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2955879 0.88 HCRTR2 (0.41) HCRTR1HCRTR2
SCHEMBL2931403 0.88 HCRTR2 (0.46) CHRM1HCRTR1HCRTR2CFDPDE4B
SCHEMBL3415862 0.88 HCRTR2 (0.46) CHRM1HCRTR1HCRTR2CFDPDE4B
SCHEMBL3415863 0.88 HCRTR2 (0.46) CHRM1HCRTR1HCRTR2CFDPDE4B
SCHEMBL2931529 0.86 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2927512 0.86 CYP46A1 (0.41) HCRTR1HCRTR2
SCHEMBL2929614 0.85 CHRM1 (0.46) CHRM1HCRTR1HCRTR2

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