SCHEMBL7671663

SCHEMBL7671663

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

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.75
OPRK1 P41145 11/20 0.75
OPRM1 P35372 8/20 0.75
KCNH2 Q12809 3/20 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
SCHEMBL8138557 0.90 OPRM1 (0.60) OPRD1OPRK1OPRM1KCNH2
SCHEMBL7669862 0.86 OPRD1 (1.00) OPRD1OPRK1OPRM1
SCHEMBL7665711 0.86 OPRD1 (0.84) OPRD1OPRK1OPRM1
SCHEMBL7673845 0.85 OPRD1 (0.87) OPRD1OPRK1OPRM1
SCHEMBL7683691 0.85 OPRD1 (0.83) OPRD1OPRK1OPRM1
SCHEMBL7666997 0.85 OPRD1 (0.81) OPRD1OPRK1OPRM1
SCHEMBL7666983 0.84 OPRD1 (0.80) OPRD1OPRK1OPRM1
SCHEMBL7666977 0.83 OPRD1 (0.73) OPRD1OPRK1OPRM1
SCHEMBL7672468 0.80 OPRD1 (0.84) OPRD1OPRK1OPRM1
SCHEMBL7662892 0.79 OPRD1 (0.72) OPRD1OPRK1OPRM1

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