SCHEMBL8938314

SCHEMBL8938314

CNCc1ccc(CCN2CCC[C@@H](OC(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.48
SLC6A3 Q01959 7/20 0.48
SLC6A4 P31645 6/20 0.48
GRM5 P41594 1/20 0.47
GRM7 Q14831 1/20 0.47
GRM3 Q14832 1/20 0.47
CHRM2 P08172 2/20 0.45
ADRA2A P08913 2/20 0.45
CHRM1 P11229 2/20 0.45
DRD1 P21728 2/20 0.45
ADRA1A P35348 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 2/20 0.45
HTR1A P08908 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SIGMAR1 Q99720 3/20 0.45
MAPK1 P28482 1/20 0.44
CHRM4 P08173 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 0.89 SIGMAR1 (0.51) SLC6A2SLC6A3SLC6A4CHRM2ADRA2A
SCHEMBL8938538 0.87 GRM5 (0.51) SLC6A2SLC6A3SLC6A4GRM5GRM7
SCHEMBL8938619 0.85 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4CHRM2ADRA2A
SCHEMBL8938512 0.85 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4CHRM2ADRA2A
SCHEMBL8938477 0.85 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4GRM5GRM7
SCHEMBL8938360 0.85 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4GRM5GRM7
SCHEMBL8938421 0.85 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4GRM5GRM7
SCHEMBL8938357 0.85 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4GRM5GRM7
SCHEMBL8938240 0.85 GRM5 (0.52) SLC6A2SLC6A3SLC6A4GRM5GRM7
SCHEMBL8938185 0.83 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4GRM5GRM7

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