SCHEMBL8938619

SCHEMBL8938619

Nc1ccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.48
SLC6A3 Q01959 5/20 0.48
SLC6A4 P31645 4/20 0.48
SIGMAR1 Q99720 3/20 0.46
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAPK1 P28482 1/20 0.44

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 0.92 SIGMAR1 (0.51) SLC6A2SLC6A3SLC6A4SIGMAR1CHRM2
SCHEMBL8938477 0.88 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4SIGMAR1CHRM2
SCHEMBL8938360 0.88 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4SIGMAR1CHRM2
SCHEMBL8938512 0.88 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4SIGMAR1CHRM2
SCHEMBL8938194 0.88 SIGMAR1 (0.49) SLC6A2SLC6A3SLC6A4SIGMAR1CHRM2
SCHEMBL8938540 0.86 HRH3 (0.49) SLC6A2SLC6A3SLC6A4SIGMAR1CHRM2
SCHEMBL8938444 0.86 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4CHRM2HTR1A
SCHEMBL8938357 0.85 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4CHRM2HTR1A
SCHEMBL8938421 0.85 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4CHRM2HTR1A
SCHEMBL8938314 0.85 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4SIGMAR1CHRM2

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