SCHEMBL7670040

SCHEMBL7670040

CCN(CC)C(=O)c1cnc(C2(c3cccc(O)c3)CCN(c3ccccn3)CC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.65
OPRK1 P41145 10/20 0.65
OPRM1 P35372 4/20 0.65
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7673437 0.90 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL7665821 0.90 OPRD1 (0.68) OPRD1OPRK1OPRM1
SCHEMBL6171647 0.89 OPRD1 (0.64) OPRD1OPRK1OPRM1HTR1ADRD2
SCHEMBL7667107 0.89 OPRD1 (0.51) OPRD1OPRK1OPRM1HTR1AALDH1A1
SCHEMBL7660627 0.84 OPRD1 (0.65) OPRD1OPRK1OPRM1
SCHEMBL7672992 0.84 OPRD1 (0.65) OPRD1OPRK1OPRM1
SCHEMBL7665600 0.83 OPRD1 (0.71) OPRD1OPRK1OPRM1
SCHEMBL6598733 0.82 OPRD1 (0.54) OPRD1OPRK1OPRM1ALDH1A1HPGD
SCHEMBL7665640 0.81 OPRD1 (0.75) OPRD1OPRK1OPRM1
SCHEMBL7671965 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