SCHEMBL9842337

SCHEMBL9842337

CC(CCC(=O)CC(=O)O)C1CNCCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.39
SLC6A9 P48067 1/20 0.37
OPRM1 P35372 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
OPRK1 P41145 1/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL9842206 0.87 OPRD1 (0.40) OPRD1SLC6A9OPRM1MEN1KMT2A
SCHEMBL9842021 0.80 TDP1 (0.42) TDP1KMT2A
SCHEMBL9842330 0.78 OPRD1 (0.42) OPRD1OPRM1TDP1MEN1KMT2A
SCHEMBL9842210 0.78 OPRD1 (0.38) OPRD1SLC6A9OPRM1MEN1KMT2A
SCHEMBL9842287 0.76 OPRD1 (0.39) OPRD1SLC6A9OPRM1MEN1KMT2A
SCHEMBL3919530 0.74 MEN1 (0.50) OPRD1OPRM1MEN1KMT2AOPRK1
SCHEMBL9842293 0.73 OPRD1 (0.39) OPRD1OPRM1MEN1KMT2ACHRM2
SCHEMBL9842320 0.72 OPRD1 (0.36) OPRD1OPRM1KMT2AOPRK1
SCHEMBL7317029 0.70 MEN1 (0.51) OPRD1OPRM1MEN1KMT2AOPRK1
SCHEMBL9842200 0.70 OPRD1 (0.42) OPRD1OPRM1MEN1KMT2AOPRK1

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