SCHEMBL8938558

SCHEMBL8938558

c1ccc(C(OC2CCCCN2CCc2cccs2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
SIGMAR1 Q99720 2/20 0.39
SLC6A3 Q01959 4/20 0.39
CHRM2 P08172 4/20 0.39
CHRM1 P11229 4/20 0.39
DRD3 P35462 4/20 0.39
ADRA2A P08913 3/20 0.39
DRD1 P21728 3/20 0.39
SLC6A2 P23975 3/20 0.39
ADRA1A P35348 3/20 0.39
OPRM1 P35372 3/20 0.39
KCNH2 Q12809 3/20 0.39
HTR1A P08908 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A4 P31645 2/20 0.38
ADAM17 P78536 1/20 0.38
CHRM3 P20309 2/20 0.37
DRD2 P14416 2/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL8938542 0.80 HRH3 (0.49) HRH3SIGMAR1SLC6A3CHRM2CHRM1
SCHEMBL8938204 0.79 PRKG1 (0.39) HRH3SLC6A3CHRM2CHRM1DRD3
SCHEMBL8938201 0.78 HRH3 (0.53) HRH3SLC6A3CHRM2CHRM1DRD3
SCHEMBL8938226 0.78 HRH3 (0.40) HRH3SIGMAR1SLC6A3CHRM2CHRM1
SCHEMBL8938514 0.78 HRH3 (0.42) HRH3
SCHEMBL8938361 0.78 GBA1 (0.41) HRH3SIGMAR1SLC6A3CHRM2CHRM1
SCHEMBL8938621 0.78 SIGMAR1 (0.41) HRH3SIGMAR1SLC6A3CHRM2CHRM1
SCHEMBL8938417 0.78 BCHE (0.36) HRH3SLC6A3CHRM2CHRM1DRD3
SCHEMBL8938454 0.77 HRH3 (0.54) HRH3SIGMAR1SLC6A3CHRM2CHRM1
SCHEMBL6863712 0.77 SIGMAR1 (0.44) HRH3SIGMAR1SLC6A3CHRM2CHRM1

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