SCHEMBL6013044

SCHEMBL6013044

CCCc1nc2c(c(-c3ccc(F)cc3)c1C(=O)OC)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.48
CACNB4 O00305 7/20 0.48
CACNA1A O00555 7/20 0.48
CACNA1G O43497 7/20 0.48
CACNG3 O60359 7/20 0.48
CACNA1F O60840 7/20 0.48
CACNA1H O95180 7/20 0.48
CACNB3 P54284 7/20 0.48
CACNA2D1 P54289 7/20 0.48
CACNG7 P62955 7/20 0.48
CACNA1B Q00975 7/20 0.48
CACNA1D Q01668 7/20 0.48
CACNB1 Q02641 7/20 0.48
CACNG1 Q06432 7/20 0.48
CACNB2 Q08289 7/20 0.48
CACNA1S Q13698 7/20 0.48
CACNA1C Q13936 7/20 0.48
CACNA1E Q15878 7/20 0.48
CACNA2D4 Q7Z3S7 7/20 0.48
CACNA2D3 Q8IZS8 7/20 0.48

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
SCHEMBL6013182 0.81 CACNB4 (0.37) ACHECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL6013263 0.80 GCGR (0.48) GCGRKDM4EPOLBALDH1A1LMNA
SCHEMBL5095037 0.80 GCGR (0.60) ACHECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL6012723 0.78 GCGR (0.48) ACHECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL6013116 0.76 GCGR (0.58) GCGRLMNANPC1RAB9A
SCHEMBL6013145 0.74 GCGR (0.43) GCGRKDM4EPOLBALDH1A1HPGD
SCHEMBL6012756 0.74 GCGR (0.43) ACHECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL6013125 0.74 GRM6 (0.46) ACHECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL6012892 0.72 GCGR (0.41) ACHECACNB4CACNA1ACACNA1GCACNG3
SCHEMBL6012859 0.72 GCGR (0.50) GCGRKDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684754-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
WO-2005051386-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed