SCHEMBL5558153

SCHEMBL5558153

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.54
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP9 P14780 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL5553552 0.91 OPRL1 (0.50) OPRL1MAPTOPRM1OPRD1OPRK1
SCHEMBL5553523 0.89 NPC1 (0.51) OPRL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5553515 0.87 OPRL1 (0.56) OPRL1MAPTMMP9OPRM1OPRD1
SCHEMBL3236262 0.85 MMP9 (0.63) OPRL1MMP9
SCHEMBL5558248 0.84 PRKCI (0.54) OPRL1MMP9
SCHEMBL5558128 0.83 CYP3A4 (0.52) MMP9HDAC6
SCHEMBL5559022 0.82 MMP9 (0.52) OPRL1MMP9
SCHEMBL5553436 0.81 OPRL1 (0.51) OPRL1MAPTMMP9
SCHEMBL5558922 0.81 MMP9 (0.51) OPRL1MMP9
SCHEMBL5559915 0.79 MMP9 (0.49) MMP9

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