SCHEMBL8938186

SCHEMBL8938186

Cc1ccccc1[C@H](O[C@@H]1CCCNC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.42
SLC6A3 Q01959 6/20 0.42
SLC6A4 P31645 5/20 0.42
CHRNA7 P36544 1/20 0.42
CYP2D6 P10635 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 2/20 0.41
PMP22 Q01453 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
CHRM2 P08172 3/20 0.40
ADRA2A P08913 3/20 0.40
CHRM1 P11229 3/20 0.40
DRD1 P21728 3/20 0.40
ADRA1A P35348 3/20 0.40
OPRM1 P35372 3/20 0.40
DRD3 P35462 3/20 0.40
KCNH2 Q12809 3/20 0.40

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
SCHEMBL7351368 0.86 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL8938437 0.86 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL8938337 0.84 CYP2D6 (0.39) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL4189112 0.83 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4CHRNA7CYP2D6
SCHEMBL12064698 0.77 DRD3 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL12064952 0.77 DRD3 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL12064699 0.77 DRD3 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL9256722 0.75 CYP2D6 (0.48) SLC6A2SLC6A3SLC6A4CHRNA7CYP2D6
Hydrochloric Acid SCHEMBL4174672 0.75 MEN1 (0.46) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL8097767 0.72 CHRNA7 (0.44) SLC6A2SLC6A3SLC6A4CHRNA7CYP2D6

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