SCHEMBL9149378

SCHEMBL9149378

CCOC(=O)c1c2c(nn1Cc1ccc(F)cc1)CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.46
CACNB4 O00305 2/20 0.46
CACNA1A O00555 2/20 0.46
CACNA1G O43497 2/20 0.46
CACNG3 O60359 2/20 0.46
CACNA1F O60840 2/20 0.46
CACNA1H O95180 2/20 0.46
CACNB3 P54284 2/20 0.46
CACNA2D1 P54289 2/20 0.46
CACNG7 P62955 2/20 0.46
CACNA1B Q00975 2/20 0.46
CACNA1D Q01668 2/20 0.46
CACNB1 Q02641 2/20 0.46
CACNG1 Q06432 2/20 0.46
CACNB2 Q08289 2/20 0.46
CACNA1S Q13698 2/20 0.46
CACNA1C Q13936 2/20 0.46
CACNA1E Q15878 2/20 0.46
CACNA2D4 Q7Z3S7 2/20 0.46
CACNA2D3 Q8IZS8 2/20 0.46

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
SCHEMBL182200 0.88 MAPK1 (0.52) LMNATSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL9148901 0.83 LMNA (0.46) ACHECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL21836697 0.80 MAPT (0.46) ACHELMNAALDH1A1NPSR1MAPT
SCHEMBL26690229 0.77 MAPT (0.43) ACHELMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL23850047 0.75 LMNA (0.46) LMNASMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL15937184 0.74 TP53 (0.48) LMNAHTTTSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL17317527 0.74 ALDH1A1 (0.41) LMNAALDH1A1NPSR1KDM4ETP53
SCHEMBL23850212 0.73 CYP19A1 (0.42) LMNAHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL1432075 0.73 TSHR (0.41) LMNAHTTTSHRALDH1A1NPSR1
SCHEMBL9937024 0.73 UCHL1 (0.48) HTTSMN1; SMN2ALDH1A1NPSR1MAPT

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
US-5387693-A Intermediates for inhibitors of cholesterol biosynthesis ORTHO PHARMACEUTICAL CORPORATION (US) 1995-02-07 US disclosed
US-5315012-A Prevention of hypercholesterolemia, hyperlipoproteinemia and atherosclerosis ORTHO PHARMACEUTICAL CORPORATION (US) 1994-05-24 US disclosed
US-5250561-A Anticholesterool agents; prevention of hyperlipoproteinemia and atherosclerosis ORTHO PHARMACEUTICAL CORPORATION (US) 1993-10-05 US disclosed
EP-0529854-A2 Tetrahydroindazole, tetrahydrocyclopentapyrazole, and hexahydrocycloheptapyrazole compounds and their use as HMG-COA reductase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1993-03-03 EP disclosed
US-5134155-A Anticholesterol ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-28 US disclosed