SCHEMBL8938392

SCHEMBL8938392

c1ccc2c(c1)CSc1ccccc1C2ON1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 4/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.40
RYR2 Q92736 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34

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
SCHEMBL6716119 0.69 GAA (0.49) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL6160581 0.69 ALDH1A1 (0.49) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL6965256 0.69 MAPT (0.47) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL5466833 0.69 ALDH1A1 (0.57) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL2126069 0.69 ALDH1A1 (0.60) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL14997683 0.68 ALDH1A1 (0.55) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL6384769 0.67 ALDH1A1 (0.58) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL21185020 0.67 ALDH1A1 (0.55) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL10239427 0.67 ALDH1A1 (0.55) ALDH1A1GAAMAPTHPGDALOX12
SCHEMBL19935227 0.67 ALDH1A1 (0.54) ALDH1A1GAAMAPTHPGDALOX12

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