SCHEMBL8938185

SCHEMBL8938185

COC(=O)c1ccc(CCN2CCC[C@@H](OC(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 4/20 0.50
CCR5 P51681 1/20 0.48
GRM5 P41594 1/20 0.48
GRM7 Q14831 1/20 0.48
GRM3 Q14832 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
BCHE P06276 5/20 0.47
HRH1 P35367 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
SCHEMBL8938288 1.00 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CCR5GRM5
SCHEMBL9255555 0.90 GRM5 (0.48) SLC6A2SLC6A4SLC6A3GRM5GRM7
SCHEMBL8938402 0.89 OPRM1 (0.51) SLC6A2SLC6A4SLC6A3GRM5GRM7
SCHEMBL8938505 0.89 OPRM1 (0.51) SLC6A2SLC6A4SLC6A3GRM5GRM7
SCHEMBL8938240 0.89 GRM5 (0.52) SLC6A2SLC6A4SLC6A3GRM5GRM7
SCHEMBL8938444 0.88 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3GRM5GRM7
SCHEMBL8938352 0.85 DRD3 (0.51) SLC6A2SLC6A4SLC6A3CCR5GRM5
SCHEMBL8938637 0.85 SIGMAR1 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL8938360 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3GRM5GRM7
SCHEMBL8938477 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3GRM5GRM7

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