SCHEMBL8938334

SCHEMBL8938334

NC(=O)c1cccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.47
OPRM1 P35372 3/20 0.47
OPRD1 P41143 2/20 0.47
KCNH2 Q12809 1/20 0.45
BCHE P06276 3/20 0.44
ARRB1 P49407 1/20 0.44
GRM5 P41594 1/20 0.43
GRM7 Q14831 1/20 0.43
GRM3 Q14832 1/20 0.43
SLC6A4 P31645 1/20 0.43
CHEK2 O96017 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL8938444 0.89 SLC6A2 (0.47) OPRK1KCNH2BCHEGRM5GRM7
SCHEMBL8938402 0.89 OPRM1 (0.51) OPRM1BCHEGRM5GRM7GRM3
SCHEMBL8938505 0.89 OPRM1 (0.51) OPRM1BCHEGRM5GRM7GRM3
SCHEMBL8938359 0.88 GRM5 (0.50) OPRK1OPRM1OPRD1BCHEGRM5
SCHEMBL8938194 0.85 SIGMAR1 (0.49) OPRK1OPRM1KCNH2SLC6A4CYP2D6
SCHEMBL8938351 0.85 OPRM1 (0.45) OPRK1OPRM1OPRD1SLC6A4
SCHEMBL8938637 0.84 SIGMAR1 (0.51) OPRM1KCNH2SLC6A4CYP2D6
SCHEMBL8938341 0.83 HTR2A (0.45) OPRM1KCNH2SLC6A4CYP2D6
SCHEMBL8938418 0.82 OPRM1 (0.50) OPRK1OPRM1KCNH2BCHEGRM5
SCHEMBL8938424 0.81 HRH3 (0.58) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534626-A SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST INTERMEDIATES PFIZER INC. (US) 1996-07-09 US disclosed
US-5266721-A Process for preparing the pure enantiomers of lifibrol and its alkyl esters KLINGE PHARMA GMBH (DE) 1993-11-30 US disclosed
US-5231104-A Anticholinergic PFIZER INC. (US) 1993-07-27 US disclosed
EP-0518110-A2 Process for the preparation of pure enatiomers of 4-[4-(4'-tert.butylphenyl)-2-hydroxybutoxy]-benzoic acid and its alkyl ester Klinge Pharma GmbH (DE) 1992-12-16 EP disclosed
EP-0350309-B1 PIPERIDINE DERIVATIVES Pfizer Limited (GB) 1992-11-11 EP disclosed
US-5089505-A Anticholinergic agents PFIZER INC. (US) 1992-02-18 US disclosed
EP-0350309-A1 Piperidine derivatives Pfizer Limited (GB) 1990-01-10 EP disclosed