SCHEMBL8938359

SCHEMBL8938359

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
GRM7 Q14831 1/20 0.50
GRM3 Q14832 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
BCHE P06276 4/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
MAOB P27338 1/20 0.41
KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL8938505 0.90 OPRM1 (0.51) GRM5GRM7GRM3OPRM1CYP3A4
SCHEMBL8938402 0.90 OPRM1 (0.51) GRM5GRM7GRM3OPRM1CYP3A4
SCHEMBL8938240 0.90 GRM5 (0.52) GRM5GRM7GRM3OPRM1OPRD1
SCHEMBL8938334 0.88 OPRK1 (0.47) GRM5GRM7GRM3OPRM1OPRD1
SCHEMBL8938418 0.83 OPRM1 (0.50) GRM5GRM7GRM3OPRM1OPRK1
SCHEMBL8938351 0.82 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL8938637 0.82 SIGMAR1 (0.51) OPRM1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL8938362 0.81 HTR1A (0.44) OPRM1OPRD1OPRK1
SCHEMBL8938288 0.81 SLC6A2 (0.50) GRM5GRM7GRM3BCHESLC6A2
SCHEMBL8938185 0.81 SLC6A2 (0.50) GRM5GRM7GRM3BCHESLC6A2

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 5 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-5410046-A Selective muscarinic receptor antagonists PFIZER INC. (US) 1995-04-25 US disclosed
US-5231104-A Anticholinergic PFIZER INC. (US) 1993-07-27 US disclosed
EP-0350309-B1 PIPERIDINE DERIVATIVES Pfizer Limited (GB) 1992-11-11 EP disclosed
EP-0350309-A1 Piperidine derivatives Pfizer Limited (GB) 1990-01-10 EP disclosed