SCHEMBL8938341

SCHEMBL8938341

Ic1cccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
SIGMAR1 Q99720 3/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 4/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SLC6A4 P31645 3/20 0.42
DRD2 P14416 2/20 0.42
MAPK1 P28482 1/20 0.41
HTR2C P28335 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) SIGMAR1SLC6A2SLC6A3DRD3KCNH2
SCHEMBL8938351 0.87 OPRM1 (0.45) SIGMAR1SLC6A2SLC6A3OPRM1SLC6A4
SCHEMBL8938194 0.87 SIGMAR1 (0.49) SIGMAR1SLC6A2SLC6A3DRD3KCNH2
SCHEMBL8938424 0.85 HRH3 (0.58) SIGMAR1HTR1AHRH3SLC6A4
SCHEMBL8938461 0.83 DRD3 (0.47) DRD3KCNH2DRD1ADRA1AHRH3
SCHEMBL14022887 0.83 SLC6A2 (0.46) SIGMAR1SLC6A2SLC6A3DRD3KCNH2
SCHEMBL8938334 0.83 OPRK1 (0.47) KCNH2CYP2D6OPRM1SLC6A4
SCHEMBL8938480 0.83 SIGMAR1 (0.53) HTR2ASIGMAR1
SCHEMBL8938402 0.81 OPRM1 (0.51) SLC6A2SLC6A3CYP2D6OPRM1SLC6A4
SCHEMBL8938505 0.81 OPRM1 (0.51) SLC6A2SLC6A3CYP2D6OPRM1SLC6A4

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