SCHEMBL7362854

SCHEMBL7362854

OCC#Cc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 6/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36

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
SCHEMBL18284504 0.86 MEN1 (0.39) MEN1KMT2AACACBGABRPGABRD
SCHEMBL21400657 0.83 APP (0.44) HRH3MEN1KMT2AACACBDHFR
SCHEMBL673267 0.81 MEN1 (0.40) HRH3MEN1KMT2ADHFRTNK2
SCHEMBL1932032 0.81 ACACB (0.47) MEN1KMT2AACACBDHFRTNK2
SCHEMBL7367139 0.80 MEN1 (0.46) MEN1KMT2AACACBGABRPGABRD
SCHEMBL21400656 0.80 APP (0.44) MEN1KMT2AACACB
SCHEMBL3500438 0.80 TNK2 (0.44) HRH3MEN1KMT2ADHFRTNK2
SCHEMBL7283018 0.80 MEN1 (0.42) HRH3MEN1KMT2AACACB
SCHEMBL673176 0.79 TNK2 (0.38) HRH3MEN1KMT2AACACBDHFR
SCHEMBL10050874 0.78 MEN1 (0.53) HRH3MEN1KMT2ADHFRTNK2

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