SCHEMBL7668256

SCHEMBL7668256

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.63
OPRK1 P41145 7/20 0.63
OPRM1 P35372 5/20 0.63
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SOAT1 P35610 1/20 0.42
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GRIN2B Q13224 1/20 0.37
TET3 O43151 1/20 0.37
FBXL19 Q6PCT2 1/20 0.37
CXXC5 Q7LFL8 1/20 0.37
TET1 Q8NFU7 1/20 0.37

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
SCHEMBL7667730 0.90 OPRD1 (0.68) OPRD1OPRK1OPRM1HDAC3HDAC1
SCHEMBL7667741 0.88 OPRD1 (0.69) OPRD1OPRK1OPRM1HDAC3HDAC1
SCHEMBL7667354 0.88 OPRD1 (0.59) OPRD1OPRK1OPRM1SOAT1LMNA
SCHEMBL7683691 0.85 OPRD1 (0.83) OPRD1OPRK1OPRM1
SCHEMBL7672193 0.84 OPRD1 (0.56) OPRD1OPRK1OPRM1SOAT1KMT2A
SCHEMBL7671714 0.82 LMNA (0.55) OPRD1OPRK1OPRM1LMNAKMT2A
SCHEMBL8124466 0.80 OPRD1 (0.67) OPRD1OPRK1OPRM1HDAC6
SCHEMBL7672971 0.80 OPRK1 (0.78) OPRD1OPRK1OPRM1
SCHEMBL8134558 0.79 OPRD1 (0.81) OPRD1OPRK1OPRM1
SCHEMBL8133582 0.79 OPRD1 (0.65) 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