SCHEMBL7367139

SCHEMBL7367139

O=C(O)CCCC#Cc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
FFAR1 O14842 5/20 0.39
FFAR4 Q5NUL3 4/20 0.39

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
SCHEMBL7283018 0.81 MEN1 (0.42) MEN1KMT2AACACBPTPN2PTPN1
SCHEMBL7362854 0.80 HRH3 (0.42) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL18284504 0.78 MEN1 (0.39) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL19504841 0.77 ITGB3 (0.48) MEN1KMT2AFFAR1FFAR4
SCHEMBL18873291 0.75 MEN1 (0.69) MEN1KMT2AMMP2MMP12PTPN2
SCHEMBL21400657 0.75 APP (0.44) MEN1KMT2AACACBPTPN1
SCHEMBL15069831 0.74 LMNA (0.46) MEN1KMT2AALDH1A1
SCHEMBL11769443 0.74 MEN1 (0.48) MEN1KMT2A
SCHEMBL24894076 0.73 CHRNB4 (0.41) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL1932032 0.73 ACACB (0.47) MEN1KMT2AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed