SCHEMBL7672992

SCHEMBL7672992

CCN(CC)C(=O)c1cnc(C2(c3cccc(O)c3)CCN(c3ncc(F)cn3)CC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.65
OPRK1 P41145 11/20 0.65
OPRM1 P35372 6/20 0.65
PDE4B Q07343 1/20 0.38

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
SCHEMBL7665821 0.92 OPRD1 (0.68) OPRD1OPRK1OPRM1
SCHEMBL7673036 0.89 OPRD1 (0.51) OPRD1OPRK1OPRM1
SCHEMBL7666959 0.84 OPRD1 (0.59) OPRD1OPRK1OPRM1
SCHEMBL7670040 0.84 OPRD1 (0.65) OPRD1OPRK1OPRM1
SCHEMBL7673437 0.83 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL7660627 0.82 OPRD1 (0.65) OPRD1OPRK1OPRM1
SCHEMBL6600476 0.82 OPRD1 (0.55) OPRD1OPRK1OPRM1PDE4B
SCHEMBL7665640 0.81 OPRD1 (0.75) OPRD1OPRK1OPRM1
SCHEMBL6598969 0.81 OPRD1 (0.66) OPRD1OPRK1OPRM1PDE4B
SCHEMBL7671965 0.81 OPRD1 (0.73) 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 2 patents. 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
EP-1038872-A1 4-Phenyl-4-heteroarylpiperdine derivatives as opioid receptor ligands Pfizer Products Inc. (US) 2000-09-27 EP disclosed