SCHEMBL4775240

SCHEMBL4775240

Fc1ccc(N2CC3C(C2)C3N(Cc2ccccc2)Cc2ccccc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 2/20 0.39
HTT P42858 1/20 0.39
CHRM1 P11229 1/20 0.38
RORC P51449 3/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MAPT P10636 1/20 0.34
BPTF Q12830 1/20 0.34
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL4779333 0.88 CHRM4 (0.39) CHRM2CHRM1DPP4DPP8DPP9
SCHEMBL4781031 0.85 GAA (0.40) ALDH1A1RORCMAPTTSHRLMNA
SCHEMBL4780315 0.84 BPTF (0.43) ALDH1A1DPP4DPP8DPP9DPP7
SCHEMBL4780326 0.82 CHRM4 (0.40) ALDH1A1HTTRORCDPP4DPP8
SCHEMBL4774390 0.79 KDM4E (0.40) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL4778369 0.79 NOTUM (0.40) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL4780839 0.78 SLC6A2 (0.44) CHRM2CHRM1SIGMAR1LMNA
SCHEMBL4779536 0.78 DRD2 (0.32) ALDH1A1HTTRORCDPP4DPP8
SCHEMBL4774338 0.78 DRD2 (0.32) ALDH1A1HTTRORCDPP4DPP8
SCHEMBL4779787 0.78 FFAR4 (0.38) MEN1KMT2ADPP4DPP8DPP9

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