SCHEMBL8938449

SCHEMBL8938449

c1ccc(C(OC2CCCN(CCc3ccccn3)C2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
SLC6A2 P23975 4/20 0.44
SLC6A3 Q01959 4/20 0.44
CHRM2 P08172 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
DRD1 P21728 2/20 0.44
ADRA1A P35348 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 2/20 0.44
CYP2D6 P10635 2/20 0.44
HTR1A P08908 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
GRM5 P41594 1/20 0.41
GRM7 Q14831 1/20 0.41
GRM3 Q14832 1/20 0.41
HPGDS O60760 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
SCHEMBL9259403 0.88 FAAH (0.42) HRH3SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938637 0.83 SIGMAR1 (0.51) HRH3SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938540 0.83 HRH3 (0.49) HRH3SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL11402064 0.79 SLC6A3 (0.51) HRH3SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938360 0.78 SLC6A2 (0.51) HRH3SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938512 0.78 SLC6A2 (0.51) HRH3SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938619 0.78 SLC6A2 (0.48) HRH3SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938199 0.78 HRH3 (0.53) HRH3SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938477 0.78 SLC6A2 (0.51) HRH3SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938554 0.77 HRH3 (0.45) HRH3SLC6A2SLC6A3CHRM2ADRA2A

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