SCHEMBL9255555

SCHEMBL9255555

CC(=O)c1ccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
GRM7 Q14831 1/20 0.48
GRM3 Q14832 1/20 0.48
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRM2 P08172 2/20 0.45
HTR1A P08908 2/20 0.45
ADRA2A P08913 2/20 0.45
CHRM1 P11229 2/20 0.45
DRD1 P21728 2/20 0.45
ADRA1A P35348 2/20 0.45
DRD3 P35462 2/20 0.45

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 0.90 SLC6A2 (0.50) GRM5GRM7GRM3SLC6A2SLC6A3
SCHEMBL8938185 0.90 SLC6A2 (0.50) GRM5GRM7GRM3SLC6A2SLC6A3
SCHEMBL8938444 0.90 SLC6A2 (0.47) GRM5GRM7GRM3SLC6A2SLC6A3
SCHEMBL8938240 0.89 GRM5 (0.52) GRM5GRM7GRM3SLC6A2SLC6A3
SCHEMBL8938352 0.87 DRD3 (0.51) GRM5GRM7GRM3SLC6A2SLC6A3
SCHEMBL8938637 0.87 SIGMAR1 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6CHRM2
SCHEMBL8938360 0.86 SLC6A2 (0.51) GRM5GRM7GRM3SLC6A2SLC6A3
SCHEMBL8938512 0.86 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6CHRM2
SCHEMBL8938477 0.86 SLC6A2 (0.51) GRM5GRM7GRM3SLC6A2SLC6A3
SCHEMBL8938357 0.85 SLC6A2 (0.48) GRM5GRM7GRM3SLC6A2SLC6A3

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-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