SCHEMBL8138557

SCHEMBL8138557

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.60
OPRD1 P41143 8/20 0.60
OPRK1 P41145 6/20 0.60
KCNH2 Q12809 3/20 0.38
HDAC6 Q9UBN7 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
FYN P06241 1/20 0.36
DHX9 Q08211 1/20 0.35
DPP4 P27487 1/20 0.35
PRMT5 O14744 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
SCHEMBL7671663 0.90 OPRD1 (0.75) OPRM1OPRD1OPRK1KCNH2
SCHEMBL8124466 0.85 OPRD1 (0.67) OPRM1OPRD1OPRK1KCNH2HDAC6
SCHEMBL8134558 0.84 OPRD1 (0.81) OPRM1OPRD1OPRK1
SCHEMBL8135859 0.84 OPRD1 (0.65) OPRM1OPRD1OPRK1HDAC6
SCHEMBL8133582 0.84 OPRD1 (0.65) OPRM1OPRD1OPRK1HDAC6
Diethylamine SCHEMBL7672966 0.82 OPRD1 (0.75) OPRM1OPRD1OPRK1HDAC6
SCHEMBL7673845 0.80 OPRD1 (0.87) OPRM1OPRD1OPRK1HDAC6
SCHEMBL8132760 0.78 OPRD1 (0.58) OPRM1OPRD1OPRK1HDAC6
SCHEMBL7668256 0.77 OPRD1 (0.63) OPRM1OPRD1OPRK1HDAC6
SCHEMBL7665748 0.76 OPRD1 (0.82) OPRM1OPRD1OPRK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038872-A1 4-Phenyl-4-heteroarylpiperdine derivatives as opioid receptor ligands Pfizer Products Inc. (US) 2000-09-27 EP disclosed