SCHEMBL7672193

SCHEMBL7672193

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.56
OPRK1 P41145 8/20 0.56
OPRM1 P35372 4/20 0.56
ALDH1A1 P00352 1/20 0.38
SOAT1 P35610 1/20 0.37
TP53 P04637 1/20 0.35
CACNA1G O43497 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 3/20 0.34
ROCK2 O75116 1/20 0.34
OPRL1 P41146 1/20 0.34
TET3 O43151 1/20 0.34
KMT2A Q03164 1/20 0.34
FBXL19 Q6PCT2 1/20 0.34
CXXC5 Q7LFL8 1/20 0.34
TET1 Q8NFU7 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
CXXC4 Q9H2H0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34

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
SCHEMBL7683149 0.88 OPRD1 (0.68) OPRD1OPRK1OPRM1
SCHEMBL7668256 0.84 OPRD1 (0.63) OPRD1OPRK1OPRM1ALDH1A1SOAT1
SCHEMBL7667730 0.83 OPRD1 (0.68) OPRD1OPRK1OPRM1ALDH1A1SOAT1
SCHEMBL7667741 0.81 OPRD1 (0.69) OPRD1OPRK1OPRM1ALDH1A1SOAT1
SCHEMBL7667354 0.81 OPRD1 (0.59) OPRD1OPRK1OPRM1ALDH1A1SOAT1
SCHEMBL7666977 0.73 OPRD1 (0.73) OPRD1OPRK1OPRM1
SCHEMBL8124466 0.73 OPRD1 (0.67) OPRD1OPRK1OPRM1KCNH2
SCHEMBL8134558 0.72 OPRD1 (0.81) OPRD1OPRK1OPRM1
SCHEMBL8133582 0.71 OPRD1 (0.65) OPRD1OPRK1OPRM1
SCHEMBL8135859 0.71 OPRD1 (0.65) 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