SCHEMBL8938461

SCHEMBL8938461

CCOc1cccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
KDM2B Q8NHM5 1/20 0.43
KCNH2 Q12809 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ROCK2 O75116 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42

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
SCHEMBL8938424 0.90 HRH3 (0.58) MEN1KMT2AHRH3
SCHEMBL8938637 0.85 SIGMAR1 (0.51) DRD3HRH3KCNH2ADRA1ADRD1
SCHEMBL8938194 0.83 SIGMAR1 (0.49) DRD3HRH3KCNH2ADRA1ADRD2
SCHEMBL8938341 0.83 HTR2A (0.45) DRD3HRH3KCNH2ADRA1ADRD2
SCHEMBL8938351 0.83 OPRM1 (0.45)
Fumaric Acid SCHEMBL8938569 0.83 HRH3 (0.50) MEN1KMT2AHRH3
SCHEMBL8938436 0.81 HRH3 (0.55) MEN1KMT2AHRH3
SCHEMBL8938505 0.80 OPRM1 (0.51)
SCHEMBL8938402 0.80 OPRM1 (0.51)
SCHEMBL8938464 0.80 HRH3 (0.47) MEN1KMT2AHRH3KCNH2ADRA1D

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