SCHEMBL6585430

SCHEMBL6585430

O=C1CCNc2cc(OCCCCl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
MPI P34949 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HRH3 Q9Y5N1 7/20 0.43
MAOB P27338 6/20 0.43
PTPN1 P18031 1/20 0.41
MAOA P21397 4/20 0.40
PSEN1 P49768 1/20 0.40

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
SCHEMBL6294106 0.79 MAOB (0.61) MEN1ALDH1A1HPGDKMT2ALMNA
SCHEMBL30718037 0.77 ALDH1A1 (0.54) MEN1ALDH1A1HPGDKMT2ALMNA
SCHEMBL643543 0.77 ALDH1A1 (0.54) MEN1ALDH1A1HPGDKMT2ALMNA
SCHEMBL1036450 0.77 KCNA5 (0.53) MAOB
SCHEMBL6174918 0.76 CYP19A1 (0.52) MEN1ALDH1A1KMT2ALMNAHTT
SCHEMBL27237001 0.76 MAOB (0.69) HRH3MAOBMAOA
SCHEMBL5247803 0.75 MAOB (0.49) HRH3MAOBMAOA
SCHEMBL1037269 0.74 DRD2 (0.56) HRH3
SCHEMBL1377016 0.74 MAOB (0.69) HRH3MAOBMAOA
SCHEMBL6294041 0.74 ALDH1A1 (0.58) MEN1ALDH1A1HPGDKMT2ALMNA

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
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
EP-0905134-B1 Piperidine derivatives as LTD4 and H1 antagonists KOWA CO (JP) 2002-01-16 EP disclosed
US-6107308-A ANTIHISTAMINE; LEUTRIENE ANTAGONIST KOWA CO., LTD. (JP) 2000-08-22 US disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed
EP-0905134-A1 Piperidine derivatives as LTD4 and H1 antagonists KOWA COMPANY, LTD. (JP) 1999-03-31 EP disclosed