SCHEMBL9259403

SCHEMBL9259403

c1ccc(C(OC2CCCN(CCc3cnccn3)C2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
GRM5 P41594 1/20 0.42
GRM7 Q14831 1/20 0.42
GRM3 Q14832 1/20 0.42
CYP2D6 P10635 5/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 4/20 0.41
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD1 P21728 2/20 0.41
ADRA1A P35348 2/20 0.41
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
KCNH2 Q12809 2/20 0.41
HTR1A P08908 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HRH1 P35367 4/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL8938449 0.88 HRH3 (0.47) GRM5GRM7GRM3CYP2D6SLC6A2
SCHEMBL8938540 0.82 HRH3 (0.49) CYP2D6SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938637 0.81 SIGMAR1 (0.51) CYP2D6SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938562 0.77 HRH3 (0.40) FAAHCYP2D6SLC6A2SLC6A3CHRM2
SCHEMBL8938565 0.77 HRH3 (0.40) FAAHCYP2D6SLC6A2SLC6A3CHRM2
SCHEMBL11402064 0.77 SLC6A3 (0.51) GRM5GRM7GRM3CYP2D6SLC6A2
SCHEMBL8938477 0.76 SLC6A2 (0.51) GRM5GRM7GRM3CYP2D6SLC6A2
SCHEMBL8938619 0.76 SLC6A2 (0.48) CYP2D6SLC6A2SLC6A3CHRM2ADRA2A
SCHEMBL8938360 0.76 SLC6A2 (0.51) GRM5GRM7GRM3CYP2D6SLC6A2
SCHEMBL8938512 0.76 SLC6A2 (0.51) CYP2D6SLC6A2SLC6A3CHRM2ADRA2A

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