SCHEMBL9831388

SCHEMBL9831388

CN(C)CCCC1(c2ccc(OCCCN(C)C3CCCCC3)cc2)Sc2ccccc2N(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CACNA1B Q00975 3/20 0.36
CACNA1H O95180 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PPARG P37231 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LSS P48449 2/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
TP53 P04637 1/20 0.33

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
Hydrochloric Acid SCHEMBL9829279 0.97 LSS (0.37) ALDH1A1CACNA1BCACNA1HKMT2AMEN1
SCHEMBL9830032 0.89 CACNA1B (0.43) ALDH1A1CACNA1BCACNA1HKMT2AMEN1
SCHEMBL9830080 0.87 ALDH1A1 (0.42) ALDH1A1CACNA1BCACNA1HKMT2AMEN1
Hydrochloric Acid SCHEMBL9829638 0.83 ALDH1A1 (0.41) ALDH1A1CACNA1BCACNA1HKMT2AMEN1
Hydrochloric Acid SCHEMBL9828345 0.82 PPARG (0.34) ALDH1A1CACNA1BCACNA1HKMT2AMEN1
SCHEMBL9829076 0.81 LSS (0.36) CACNA1BCACNA1HPPARGLSSMAPT
Hydrochloric Acid SCHEMBL9829276 0.81 ALDH1A1 (0.35) ALDH1A1CACNA1BCACNA1HKMT2AMEN1
SCHEMBL9830856 0.80 TMEM97 (0.50) KMT2AMEN1HRH3KDM4EOPRM1
SCHEMBL9829460 0.79 MAPT (0.38) ALDH1A1KMT2AMEN1HRH3KDM4E
SCHEMBL9829070 0.79 PDE3B (0.36) CACNA1BCACNA1HPPARGLSSMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233291-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP disclosed