SCHEMBL7665697

SCHEMBL7665697

CCCC(C)CN1CCC(c2cccc(O)c2)(c2ncc(C(=O)NCC3CC3)cn2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.70
OPRK1 P41145 11/20 0.70
OPRM1 P35372 7/20 0.70
KCNH2 Q12809 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
DGAT2 Q96PD7 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
CACNA1C Q13936 1/20 0.36
CHRM4 P08173 1/20 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
SCHEMBL7665744 0.89 OPRD1 (0.73) OPRD1OPRK1OPRM1HDAC6KCNE1
SCHEMBL7673447 0.88 OPRD1 (0.71) OPRD1OPRK1OPRM1HDAC6KCNE1
SCHEMBL7672468 0.84 OPRD1 (0.84) OPRD1OPRK1OPRM1
SCHEMBL7667352 0.83 OPRD1 (0.85) OPRD1OPRK1OPRM1
SCHEMBL7665704 0.83 OPRD1 (0.79) OPRD1OPRK1OPRM1
SCHEMBL7669862 0.82 OPRD1 (1.00) OPRD1OPRK1OPRM1
SCHEMBL7673451 0.82 OPRD1 (0.80) OPRD1OPRK1OPRM1
SCHEMBL7665748 0.82 OPRD1 (0.82) OPRD1OPRK1OPRM1
SCHEMBL7671940 0.82 OPRD1 (0.85) OPRD1OPRK1OPRM1
SCHEMBL7665853 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