SCHEMBL8636898

SCHEMBL8636898

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

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.50
OPRD1 P41143 6/20 0.50
OPRK1 P41145 2/20 0.50
CACNA1C Q13936 1/20 0.50

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
SCHEMBL29174216 0.89 OPRM1 (0.66) OPRM1OPRD1OPRK1CACNA1C
Oxalic Acid SCHEMBL6045565 0.87 OPRM1 (0.55) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6963041 0.84 OPRM1 (0.44) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6045452 0.79 OPRM1 (0.62) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL3303683 0.77 OPRM1 (0.80) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL14193818 0.77 OPRM1 (0.76) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL11567263 0.75 OPRM1 (0.53) OPRM1OPRD1OPRK1CACNA1C
Oxalic Acid SCHEMBL9372788 0.75 OPRD1 (0.37) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6045629 0.75 OPRM1 (0.60) OPRM1OPRD1OPRK1CACNA1C
Hydrochloric Acid SCHEMBL29010934 0.74 CACNA1C (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832106-A2 COMPOUNDS HAVING BRADYKININ ANTAGONISTIC ACTIVITY AND MU-OPIOID AGONISTIC ACTIVITY CORTECH, INC. (US) 1998-04-01 EP disclosed
WO-1996039425-A2 COMPOUNDS HAVING BRADYKININ ANTAGONISTIC ACTIVITY AND MU-OPIOID AGONISTIC ACTIVITY CORTECH, INC. (US) 1996-12-12 WO disclosed