SCHEMBL10593191

SCHEMBL10593191

CCOC(=O)c1cc2cccc(OCCN3CCCC3)c2cc1OCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
NMT2 O60551 1/20 0.49
NMT1 P30419 1/20 0.49
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
GCGR P47871 1/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD3 P35462 1/20 0.46
CACNA1F O60840 5/20 0.46
CACNA1D Q01668 5/20 0.46
CACNA1S Q13698 5/20 0.46
CACNA1C Q13936 5/20 0.46
KDM4E B2RXH2 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 1/20 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
Hydrochloric Acid SCHEMBL10527368 0.99 PTPN1 (0.49) PTPN1NMT2NMT1MEN1GAA
SCHEMBL9788511 0.92 ALDH1A1 (0.52) NMT2NMT1MEN1GAAKMT2A
SCHEMBL10526571 0.91 NMT2 (0.44) PTPN1NMT2NMT1MEN1GAA
SCHEMBL9788507 0.91 ABCB1 (0.52) PTPN1NMT2NMT1MEN1GAA
Hydrochloric Acid SCHEMBL9788535 0.91 ALDH1A1 (0.51) NMT2NMT1MEN1GAAKMT2A
SCHEMBL9788513 0.91 NMT2 (0.47) PTPN1NMT2NMT1MEN1GAA
Hydrochloric Acid SCHEMBL9788506 0.90 NMT2 (0.46) PTPN1NMT2NMT1MEN1GAA
SCHEMBL9788539 0.85 DRD2 (0.54) MEN1GAAKMT2ATDP1GCGR
SCHEMBL6984399 0.77 KDM4E (0.56) PTPN1NMT2NMT1MEN1GAA
SCHEMBL10592149 0.73 KDM4E (0.43) NMT2NMT1CACNA1FCACNA1DCACNA1S

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-0347932-A2 Treatment of conditions requiring enhanced oxygen availability to mammalian tissues RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-27 EP claimed