SCHEMBL9842330

SCHEMBL9842330

CC(=O)C(CC(C)C1CNCCN1C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.42
OPRM1 P35372 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
OPRK1 P41145 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL9842200 0.89 OPRD1 (0.42) OPRD1OPRM1KMT2AMEN1OPRK1
SCHEMBL9842011 0.81 TDP1 (0.42) KMT2ATDP1
SCHEMBL9842205 0.78 OPRD1 (0.43) OPRD1OPRM1KMT2AMEN1OPRK1
SCHEMBL9842337 0.78 OPRD1 (0.39) OPRD1OPRM1KMT2AMEN1TDP1
SCHEMBL9842293 0.77 OPRD1 (0.39) OPRD1OPRM1KMT2AMEN1CHRM2
SCHEMBL3919530 0.76 MEN1 (0.50) OPRD1OPRM1KMT2AMEN1OPRK1
SCHEMBL9842315 0.72 OPRD1 (0.41) OPRD1OPRM1KMT2AOPRK1SLC6A2
SCHEMBL9842206 0.72 OPRD1 (0.40) OPRD1OPRM1KMT2AMEN1OPRK1
SCHEMBL4153276 0.70 MEN1 (0.53) OPRD1OPRM1KMT2AMEN1CHRM2
SCHEMBL4153281 0.70 MEN1 (0.53) OPRD1OPRM1KMT2AMEN1CHRM2

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-0461264-A1 ETHYNYLPHENYL DERIVATIVE, PRODUCTION THEREOF, AND REMEDY FOR DISEASES OF CIRCULATORY ORGANS CONTAINING THE SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP disclosed