SCHEMBL7673036

SCHEMBL7673036

CCN(CC)C(=O)c1cnc(C2(c3cccc(OC)c3)CCN(c3ncc(F)cn3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.51
OPRK1 P41145 7/20 0.51
OPRM1 P35372 5/20 0.51
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 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
SCHEMBL7668213 0.92 OPRD1 (0.53) OPRD1OPRK1OPRM1HPGDALDH1A1
SCHEMBL7672992 0.89 OPRD1 (0.65) OPRD1OPRK1OPRM1
SCHEMBL7674063 0.85 OPRD1 (0.47) OPRD1OPRK1OPRM1HPGDALDH1A1
SCHEMBL7667107 0.84 OPRD1 (0.51) OPRD1OPRK1OPRM1HPGDALDH1A1
SCHEMBL7668023 0.84 OPRD1 (0.51) OPRD1OPRK1OPRM1ALDH1A1LMNA
SCHEMBL6597970 0.82 OPRD1 (0.52) OPRD1OPRK1OPRM1
SCHEMBL7665165 0.82 OPRD1 (0.56) OPRD1OPRK1OPRM1ALDH1A1LMNA
SCHEMBL7665822 0.82 OPRD1 (0.51) OPRD1OPRK1OPRM1HPGDHDAC3
SCHEMBL6171193 0.81 OPRD1 (0.52) OPRD1OPRK1OPRM1HPGDALDH1A1
SCHEMBL7665821 0.80 OPRD1 (0.68) 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