SCHEMBL7673074

SCHEMBL7673074

CCOCCCN1CCC(c2cccc(C(N)=O)c2)(c2ncc(C(=O)N(CC)CC)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.67
OPRK1 P41145 12/20 0.67
OPRM1 P35372 7/20 0.55
HRH3 Q9Y5N1 3/20 0.41

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
SCHEMBL7674091 0.91 OPRD1 (0.67) OPRD1OPRK1OPRM1
SCHEMBL7667725 0.89 OPRD1 (0.73) OPRD1OPRK1OPRM1
SCHEMBL7665785 0.88 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL7665746 0.86 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL7667049 0.81 OPRD1 (0.68) OPRD1OPRK1OPRM1HRH3
SCHEMBL7673873 0.81 OPRD1 (0.70) OPRD1OPRK1OPRM1
SCHEMBL7668357 0.81 OPRD1 (0.69) OPRD1OPRK1OPRM1HRH3
SCHEMBL7660942 0.81 OPRD1 (0.74) OPRD1OPRK1OPRM1
SCHEMBL7665640 0.81 OPRD1 (0.75) OPRD1OPRK1OPRM1
SCHEMBL7665763 0.80 OPRD1 (0.67) 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