SCHEMBL9842563

SCHEMBL9842563

CCC(C(C)=O)(C(=O)O)C1CNCCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.43
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A9 P48067 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
SCHEMBL5633854 0.72 OPRD1 (0.50) OPRD1OPRM1KMT2AMEN1SLC6A4
SCHEMBL4277872 0.71 OPRD1 (0.44) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL4153276 0.71 MEN1 (0.53) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL4153281 0.71 MEN1 (0.53) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL9842205 0.70 OPRD1 (0.43) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL9842200 0.70 OPRD1 (0.42) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL27402701 0.69 MEN1 (0.51) OPRD1OPRM1KMT2AMEN1SLC6A2
SCHEMBL9842330 0.69 OPRD1 (0.42) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL5623535 0.67 MEN1 (0.51) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL9530935 0.67 MEN1 (0.51) OPRD1OPRM1OPRK1KMT2AMEN1

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