SCHEMBL8303461

SCHEMBL8303461

CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2)N(Cc2cccc(C(=O)O)c2)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 5/20 0.45
CACNA1D Q01668 5/20 0.45
CACNA1S Q13698 5/20 0.45
CACNA1C Q13936 5/20 0.45
PYGL P06737 1/20 0.45
PYGM P11217 1/20 0.45
CACNA1B Q00975 7/20 0.43
XBP1 P17861 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 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
SCHEMBL8303326 0.92 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CPYGL
SCHEMBL8302915 0.86 PYGL (0.40) CACNA1FCACNA1DCACNA1SCACNA1CPYGL
SCHEMBL8302877 0.78 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL14600510 0.78 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL5568983 0.75 HTT (0.40) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL20328325 0.73 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7275400 0.73 CACNA1B (0.67) CACNA1BMEN1LMNAKMT2A
SCHEMBL8303348 0.73 MGLL (0.45) CACNA1FCACNA1DCACNA1SCACNA1CXBP1
SCHEMBL5568116 0.72 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL20328168 0.72 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B

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-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO disclosed