SCHEMBL7665165

SCHEMBL7665165

CCN(CC)C(=O)c1cnc(C2(c3cccc(OC)c3)CCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.56
OPRK1 P41145 7/20 0.56
OPRM1 P35372 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SIGMAR1 Q99720 1/20 0.45
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7665850 0.89 ALDH1A1 (0.53) OPRD1OPRK1OPRM1L3MBTL1ALDH1A1
SCHEMBL7665600 0.88 OPRD1 (0.71) OPRD1OPRK1OPRM1
SCHEMBL6173909 0.87 OPRD1 (0.64) OPRD1OPRK1OPRM1L3MBTL1
SCHEMBL7671714 0.87 LMNA (0.55) OPRD1OPRK1OPRM1L3MBTL1ALDH1A1
SCHEMBL7668213 0.84 OPRD1 (0.53) OPRD1OPRK1OPRM1ALDH1A1CYP2D6
SCHEMBL7667107 0.83 OPRD1 (0.51) OPRD1OPRK1OPRM1L3MBTL1ALDH1A1
SCHEMBL6600233 0.83 OPRD1 (0.49) OPRD1OPRK1OPRM1ALDH1A1CYP2D6
SCHEMBL7665822 0.82 OPRD1 (0.51) OPRD1OPRK1OPRM1CYP2D6TSHR
SCHEMBL7673036 0.82 OPRD1 (0.51) OPRD1OPRK1OPRM1ALDH1A1TSHR
SCHEMBL7672418 0.81 OPRD1 (0.69) 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 3 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
JP-2000247969-A 4-PHENYL-4-HETEROARYLPIPERIDINE DERIVATIVE PFIZER PROD INC 2000-09-12 JP disclosed