SCHEMBL4779333

SCHEMBL4779333

Fc1cc(N2CC3C(C2)C3N(Cc2ccccc2)Cc2ccccc2)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.39
CHRM2 P08172 8/20 0.38
CHRM1 P11229 2/20 0.37
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL4775240 0.88 MEN1 (0.41) CHRM2CHRM1UBE2MDCUN1D1DPP4
SCHEMBL4781031 0.83 GAA (0.40)
SCHEMBL4780315 0.82 BPTF (0.43) DPP4DPP8DPP9DPP7
SCHEMBL4780326 0.81 CHRM4 (0.40) CHRM4UBE2MDCUN1D1DPP4DPP8
SCHEMBL4774390 0.80 KDM4E (0.40)
SCHEMBL4778369 0.80 NOTUM (0.40) CHRM4
SCHEMBL4779536 0.80 DRD2 (0.32) CHRM4DPP4DPP8DPP9DPP7
SCHEMBL4774338 0.80 DRD2 (0.32) CHRM4DPP4DPP8DPP9DPP7
SCHEMBL4780332 0.80 CHRM4 (0.38) CHRM4UBE2MDCUN1D1
SCHEMBL4321609 0.78 GRM5 (0.42) CHRM4DPP4DPP8DPP9DPP7

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
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed