SCHEMBL9842205

SCHEMBL9842205

CC(=O)C(CCC1CNCCN1C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.43
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
SLC6A9 P48067 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL9842315 0.93 OPRD1 (0.41) OPRD1OPRM1OPRK1KMT2ASLC6A9
SCHEMBL9841934 0.91 OPRD1 (0.42) OPRD1OPRM1OPRK1SLC6A9
SCHEMBL9842117 0.90 OPRD1 (0.36) OPRD1OPRM1KMT2AMEN1SLC6A9
SCHEMBL9842323 0.84 OPRD1 (0.35) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL8051571 0.80 MEN1 (0.47) OPRD1OPRM1KMT2AMEN1SLC6A2
SCHEMBL9842022 0.79 SIGMAR1 (0.41) KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL9842330 0.78 OPRD1 (0.42) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL9842111 0.78 OPRD1 (0.40) OPRD1OPRM1KMT2AMEN1
SCHEMBL9842276 0.77 MITF (0.47) OPRD1KMT2AMEN1SLC6A2SLC6A4
SCHEMBL27402701 0.77 MEN1 (0.51) OPRD1OPRM1KMT2AMEN1SLC6A2

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