SCHEMBL8938459

SCHEMBL8938459

COc1ccccc1CCN1CCCC(OC(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
SIGMAR1 Q99720 2/20 0.53
KCNH2 Q12809 3/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL8938199 0.84 HRH3 (0.53) HRH3SIGMAR1KCNH2CHRM2HTR1A
SCHEMBL8938637 0.82 SIGMAR1 (0.51) HRH3SIGMAR1KCNH2CHRM2HTR1A
SCHEMBL8938424 0.80 HRH3 (0.58) HRH3SIGMAR1MEN1KMT2AHTR1A
SCHEMBL11402064 0.78 SLC6A3 (0.51) HRH3SIGMAR1KCNH2CHRM2HTR1A
SCHEMBL8938360 0.77 SLC6A2 (0.51) HRH3SIGMAR1KCNH2CHRM2HTR1A
SCHEMBL8938477 0.77 SLC6A2 (0.51) HRH3SIGMAR1KCNH2CHRM2HTR1A
SCHEMBL8938540 0.77 HRH3 (0.49) HRH3SIGMAR1KCNH2CHRM2HTR1A
SCHEMBL8938512 0.77 SLC6A2 (0.51) HRH3SIGMAR1KCNH2CHRM2HTR1A
SCHEMBL8938619 0.77 SLC6A2 (0.48) HRH3SIGMAR1KCNH2CHRM2HTR1A
SCHEMBL8938357 0.77 SLC6A2 (0.48) HRH3KCNH2CHRM2HTR1AADRA2A

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 5 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