SCHEMBL8938402

SCHEMBL8938402

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
GRM5 P41594 1/20 0.46
GRM7 Q14831 1/20 0.46
GRM3 Q14832 1/20 0.46
BCHE P06276 3/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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 1.00 OPRM1 (0.51) OPRM1GRM5GRM7GRM3BCHE
SCHEMBL8938359 0.90 GRM5 (0.50) OPRM1GRM5GRM7GRM3BCHE
SCHEMBL8938185 0.89 SLC6A2 (0.50) GRM5GRM7GRM3BCHESLC6A2
SCHEMBL8938288 0.89 SLC6A2 (0.50) GRM5GRM7GRM3BCHESLC6A2
SCHEMBL8938334 0.89 OPRK1 (0.47) OPRM1GRM5GRM7GRM3BCHE
SCHEMBL8938418 0.84 OPRM1 (0.50) OPRM1GRM5GRM7GRM3BCHE
SCHEMBL8938424 0.83 HRH3 (0.58) SLC6A4
SCHEMBL8938351 0.83 OPRM1 (0.45) OPRM1SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL8938569 0.83 HRH3 (0.50) SLC6A4
SCHEMBL8938637 0.82 SIGMAR1 (0.51) OPRM1SLC6A2SLC6A4SLC6A3CYP2D6

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 6 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
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