SCHEMBL7671714

SCHEMBL7671714

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.51
OPRD1 P41143 4/20 0.49
OPRK1 P41145 3/20 0.49
OPRM1 P35372 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
NPFFR1 Q9GZQ6 1/20 0.48
NPFFR2 Q9Y5X5 1/20 0.48
KCNH2 Q12809 2/20 0.47
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45

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 0.92 ALDH1A1 (0.53) LMNAALDH1A1OPRD1OPRK1OPRM1
SCHEMBL7665165 0.87 OPRD1 (0.56) LMNAALDH1A1OPRD1OPRK1OPRM1
SCHEMBL6167989 0.86 LMNA (0.63) LMNAALDH1A1OPRD1OPRK1OPRM1
SCHEMBL7668256 0.82 OPRD1 (0.63) LMNAALDH1A1OPRD1OPRK1OPRM1
SCHEMBL6598784 0.82 LMNA (0.49) LMNAALDH1A1OPRD1OPRK1OPRM1
SCHEMBL7820476 0.80 L3MBTL1 (0.54) LMNAALDH1A1OPRD1OPRK1OPRM1
SCHEMBL6171747 0.80 LMNA (0.52) LMNAALDH1A1OPRD1OPRK1OPRM1
SCHEMBL6170025 0.79 LMNA (0.52) LMNAALDH1A1OPRD1OPRK1OPRM1
SCHEMBL6599092 0.78 LMNA (0.55) LMNAALDH1A1OPRD1OPRK1OPRM1
SCHEMBL7666972 0.78 ALDH1A1 (0.45) LMNAALDH1A1OPRD1OPRK1OPRM1

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