SCHEMBL4780574

SCHEMBL4780574

Fc1cc(OC(F)F)ccc1N1CC2C(C1)C2N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 3/20 0.35
ACACB O00763 4/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM5 P41594 1/20 0.33
RORC P51449 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CRHR1 P34998 1/20 0.32

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
SCHEMBL4321609 0.82 GRM5 (0.42) CHRM4KMT2AGRM5RORC
SCHEMBL4774664 0.80 ADRA1D (0.38)
SCHEMBL4781178 0.80 UBE2M (0.39) CHRM2LMNAKMT2ASMN1; SMN2RORC
SCHEMBL4780326 0.80 CHRM4 (0.40) CHRM4HTTSMN1; SMN2RORC
SCHEMBL4778369 0.79 NOTUM (0.40) CHRM4LMNAKMT2ASMN1; SMN2
SCHEMBL4774338 0.76 DRD2 (0.32) CHRM4HTTSMN1; SMN2RORC
SCHEMBL4779536 0.76 DRD2 (0.32) CHRM4HTTSMN1; SMN2RORC
SCHEMBL4780332 0.73 CHRM4 (0.38) CHRM4KMT2ASMN1; SMN2
SCHEMBL4779787 0.73 FFAR4 (0.38) LMNAKMT2A
SCHEMBL4779333 0.72 CHRM4 (0.39) CHRM4CHRM2CHRM5CHRM1CHRM3

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