SCHEMBL9842320

SCHEMBL9842320

O=C(O)CC(=O)CCCC1CNCCCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
F2R P25116 1/20 0.33

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
SCHEMBL9842210 0.93 OPRD1 (0.38) OPRD1OPRM1OPRK1KMT2A
SCHEMBL8051571 0.77 MEN1 (0.47) OPRD1OPRM1KMT2A
SCHEMBL9842315 0.77 OPRD1 (0.41) OPRD1OPRM1OPRK1KMT2A
SCHEMBL9842029 0.74 CA1 (0.40)
SCHEMBL9842287 0.74 OPRD1 (0.39) OPRD1OPRM1OPRK1KMT2A
SCHEMBL9842280 0.72 MITF (0.47)
Hydrochloric Acid SCHEMBL8693224 0.72 MEN1 (0.42) OPRD1KMT2A
SCHEMBL9842337 0.72 OPRD1 (0.39) OPRD1OPRM1OPRK1KMT2A
SCHEMBL7427741 0.71 ALDH1A1 (0.41) OPRD1OPRM1OPRK1KMT2A
SCHEMBL9842206 0.70 OPRD1 (0.40) OPRD1OPRM1OPRK1KMT2A

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