SCHEMBL7673845

SCHEMBL7673845

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

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.87
OPRK1 P41145 10/20 0.87
OPRM1 P35372 4/20 0.82
HDAC6 Q9UBN7 1/20 0.35
KDR P35968 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL7683691 0.91 OPRD1 (0.83) OPRD1OPRK1OPRM1
SCHEMBL7665711 0.90 OPRD1 (0.84) OPRD1OPRK1OPRM1HDAC6KDR
SCHEMBL7669862 0.90 OPRD1 (1.00) OPRD1OPRK1OPRM1
SCHEMBL7666997 0.89 OPRD1 (0.81) OPRD1OPRK1OPRM1
SCHEMBL7666983 0.88 OPRD1 (0.80) OPRD1OPRK1OPRM1
SCHEMBL8134558 0.88 OPRD1 (0.81) OPRD1OPRK1OPRM1
SCHEMBL7666977 0.86 OPRD1 (0.73) OPRD1OPRK1OPRM1
SCHEMBL7671663 0.85 OPRD1 (0.75) OPRD1OPRK1OPRM1
SCHEMBL8124466 0.85 OPRD1 (0.67) OPRD1OPRK1OPRM1HDAC6KDM4E
Diethylamine SCHEMBL7672966 0.84 OPRD1 (0.75) OPRD1OPRK1OPRM1HDAC6

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