SCHEMBL5558113

SCHEMBL5558113

Cc1cc(N)c2cccc(C(=O)Nc3ccc(CNc4cc(C)[n+](C)c(N)n4)cc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 4/20 0.44
OPRL1 P41146 14/20 0.42
OPRM1 P35372 10/20 0.41
OPRK1 P41145 9/20 0.41
MAPT P10636 1/20 0.41
OPRD1 P41143 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA2B P18089 1/20 0.41
S1PR1 P21453 1/20 0.41
FPR1 P21462 1/20 0.41
FPR3 P25089 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR1D P28221 1/20 0.41

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
SCHEMBL5559910 0.88 DNMT1 (0.45) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5558101 0.86 CD38 (0.48) CD38OPRL1OPRM1OPRK1PIK3CA
SCHEMBL5558076 0.84 HDAC1 (0.52) CD38HDAC6
SCHEMBL5558936 0.84 DNMT1 (0.47) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL3243944 0.81 MMP9 (0.46) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL3233220 0.80 MMP9 (0.51) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5558052 0.71 DNMT1 (0.47) MAPT
SCHEMBL3239682 0.69 DNMT1 (0.53)
SCHEMBL3239601 0.68 MMP9 (0.54) OPRL1
SCHEMBL3241944 0.67 DNMT1 (0.55) OPRL1

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-1509516-B1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-31 EP claimed