SCHEMBL6963041

SCHEMBL6963041

CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(c2ccccc2CC)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.44
OPRD1 P41143 3/20 0.42
OPRK1 P41145 2/20 0.42
CACNA1C Q13936 1/20 0.42

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
SCHEMBL8636898 0.84 OPRM1 (0.50) OPRM1OPRD1OPRK1CACNA1C
Oxalic Acid SCHEMBL9372788 0.81 OPRD1 (0.37) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL29174216 0.81 OPRM1 (0.66) OPRM1OPRD1OPRK1CACNA1C
Oxalic Acid SCHEMBL6045565 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6963035 0.78 OPRM1 (0.68) OPRM1OPRD1OPRK1
Oxalic Acid SCHEMBL6045520 0.78 OPRM1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL8097591 0.74 OPRL1 (0.58) OPRM1OPRD1OPRK1
SCHEMBL10460790 0.73 OPRD1 (0.71) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL10398382 0.73 OPRM1 (0.71) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL10688179 0.72 OPRM1 (0.70) OPRM1OPRD1OPRK1CACNA1C

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-0869791-B1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2003-05-07 EP disclosed