SCHEMBL5553552

SCHEMBL5553552

Cc1cc(N)c2cc(OC(=O)Nc3ccc(CNC(=O)c4ccccn4)cc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.50
OPRM1 P35372 15/20 0.50
OPRK1 P41145 14/20 0.50
MAPT P10636 1/20 0.49
OPRD1 P41143 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
ADRA2A P08913 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRB3 P13945 1/20 0.49
ADRA2B P18089 1/20 0.49
S1PR1 P21453 1/20 0.49
FPR1 P21462 1/20 0.49
FPR3 P25089 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
TSPO P30536 1/20 0.49

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
SCHEMBL5558153 0.91 OPRL1 (0.54) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL3238603 0.86 MMP9 (0.54) OPRL1
SCHEMBL5558062 0.86 CTNNB1 (0.47) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5553614 0.85 OPRL1 (0.47) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5553477 0.84 CTNNB1 (0.52) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5553523 0.81 NPC1 (0.51) OPRL1MAPT
SCHEMBL5558098 0.80 SMN1; SMN2 (0.48) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5553515 0.79 OPRL1 (0.56) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL3236262 0.77 MMP9 (0.63) OPRL1
SCHEMBL5558248 0.77 PRKCI (0.54) 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