SCHEMBL8938480

SCHEMBL8938480

O=[N+]([O-])c1cccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
ABCB1 P08183 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TACR1 P25103 1/20 0.45
HTR2A P28223 1/20 0.45
BCHE P06276 1/20 0.44
OPRK1 P41145 1/20 0.44
FAAH O00519 2/20 0.43
CCR2 P41597 2/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
GRM5 P41594 1/20 0.41
GRM7 Q14831 1/20 0.41
GRM3 Q14832 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
SCHEMBL8938637 0.84 SIGMAR1 (0.51) SIGMAR1
SCHEMBL8938424 0.83 HRH3 (0.58) SIGMAR1MEN1KMT2A
SCHEMBL8938351 0.83 OPRM1 (0.45) SIGMAR1OPRK1
SCHEMBL8938194 0.83 SIGMAR1 (0.49) SIGMAR1OPRK1
SCHEMBL8938341 0.83 HTR2A (0.45) SIGMAR1HTR2A
SCHEMBL8938505 0.81 OPRM1 (0.51) BCHEGRM5GRM7GRM3
SCHEMBL8938402 0.81 OPRM1 (0.51) BCHEGRM5GRM7GRM3
SCHEMBL8938334 0.80 OPRK1 (0.47) BCHEOPRK1GRM5GRM7GRM3
SCHEMBL8938461 0.79 DRD3 (0.47) MEN1KMT2AROCK2
SCHEMBL8938482 0.79 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ATACR1HTR2A

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