SCHEMBL4819129

SCHEMBL4819129

COCc1nc(C(=O)O)c(-c2ccccc2)n1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 13/20 0.43
OPRM1 P35372 11/20 0.43
OPRK1 P41145 11/20 0.43
OPRD1 P41143 10/20 0.43
ADRB2 P07550 1/20 0.41
OPRL1 P41146 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
CNR1 P21554 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4291351 0.80 OGFRL1 (0.44) OGFRL1OPRM1OPRK1OPRD1ADRB2
SCHEMBL4294427 0.78 OGFRL1 (0.48) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL4284918 0.73 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1GAA
SCHEMBL4281769 0.73 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1GAA
SCHEMBL4819112 0.72 POLB (0.46) CNR1MEN1KMT2A
SCHEMBL4285173 0.68 ALDH1A1 (0.45) OGFRL1OPRM1OPRK1OPRD1GAA
SCHEMBL4282795 0.68 ALDH1A1 (0.45) OGFRL1OPRM1OPRK1OPRD1GAA
SCHEMBL4293262 0.66 SLC6A3 (0.43) GAAALOX15CNR1MEN1KMT2A
SCHEMBL3494784 0.65 OGFRL1 (0.44) OGFRL1OPRM1OPRK1GAAALOX15
SCHEMBL885809 0.64 OPRM1 (0.47) OGFRL1OPRM1OPRK1OPRD1MEN1

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed