SCHEMBL5558098

SCHEMBL5558098

Cc1cc(N)c2cc(OC(=O)Nc3ccc(CNC(=O)c4cncc(Br)c4)cc3)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
OPRL1 P41146 13/20 0.45
OPRM1 P35372 13/20 0.45
OPRK1 P41145 12/20 0.45
MAPT P10636 1/20 0.44
OPRD1 P41143 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRB3 P13945 1/20 0.44
ADRA2B P18089 1/20 0.44
S1PR1 P21453 1/20 0.44
FPR1 P21462 1/20 0.44
FPR3 P25089 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL5558427 0.91 MMP9 (0.49) SMN1; SMN2OPRL1MAPTMMP9
SCHEMBL3237959 0.87 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMMP9
SCHEMBL5553477 0.84 CTNNB1 (0.52) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5558062 0.83 CTNNB1 (0.47) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5553614 0.81 OPRL1 (0.47) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5553552 0.80 OPRL1 (0.50) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL3240191 0.78 MMP9 (0.57) SMN1; SMN2MAPTMMP9
SCHEMBL5558128 0.77 CYP3A4 (0.52) HDAC6MMP9
SCHEMBL5559022 0.75 MMP9 (0.52) OPRL1MMP9
SCHEMBL5558008 0.74 INSR (0.45) OPRL1OPRM1OPRK1MAPTOPRD1

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