SCHEMBL8938482

SCHEMBL8938482

O=[N+]([O-])c1cccc(CCN2CCCCC2OC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
TACR1 P25103 1/20 0.46
FAAH O00519 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRK1 P41145 1/20 0.43
POLB P06746 1/20 0.42
CCR5 P51681 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HTR2A P28223 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL8938428 0.82 HRH3 (0.58) SIGMAR1HRH3
SCHEMBL8938195 0.82 SIGMAR1 (0.44) SIGMAR1OPRK1HRH3
SCHEMBL8938354 0.82 OPRM1 (0.43) OPRK1
SCHEMBL8938348 0.82 HTR2A (0.41) SIGMAR1TACR1HRH3HTR2A
SCHEMBL8938406 0.81 CYP4F2 (0.46)
SCHEMBL8938340 0.81 SLC6A4 (0.44) OPRK1
SCHEMBL8938464 0.80 HRH3 (0.47) MEN1KMT2APOLBHRH3
SCHEMBL8938480 0.79 SIGMAR1 (0.53) SIGMAR1TACR1FAAHMEN1KMT2A
SCHEMBL8938226 0.79 HRH3 (0.40) SIGMAR1HRH3MAPK1
SCHEMBL8938362 0.78 HTR1A (0.44) OPRK1

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