SCHEMBL7672971

SCHEMBL7672971

CCCC(C)CN1CCC(c2cccc(C(N)=O)c2)(c2ncc(C(=O)ON(CC)CC)cn2)CC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.78
OPRD1 P41143 12/20 0.78
OPRM1 P35372 14/20 0.64
ARRB1 P49407 1/20 0.35

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
SCHEMBL8134558 0.87 OPRD1 (0.81) OPRK1OPRD1OPRM1ARRB1
Diethylamine SCHEMBL7672966 0.83 OPRD1 (0.75) OPRK1OPRD1OPRM1ARRB1
SCHEMBL7683691 0.82 OPRD1 (0.83) OPRK1OPRD1OPRM1
SCHEMBL7673845 0.81 OPRD1 (0.87) OPRK1OPRD1OPRM1
SCHEMBL7668256 0.80 OPRD1 (0.63) OPRK1OPRD1OPRM1
SCHEMBL7665711 0.78 OPRD1 (0.84) OPRK1OPRD1OPRM1
SCHEMBL7669862 0.78 OPRD1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL8124466 0.77 OPRD1 (0.67) OPRK1OPRD1OPRM1
SCHEMBL7671940 0.77 OPRD1 (0.85) OPRK1OPRD1OPRM1
SCHEMBL7667741 0.77 OPRD1 (0.69) OPRK1OPRD1OPRM1

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
US-6444679-B1 NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; DELTA OPIOID LIGANDS OR OPIOID RECEPTORS PFIZER INC 2002-09-03 US disclosed