SCHEMBL8202128

SCHEMBL8202128

CCC[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)C2C1C=CC(Cl)=CC1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 13/20 0.47
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
GFER P55789 1/20 0.32
CCR1 P32246 1/20 0.31

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
SCHEMBL8210253 0.67 CACNA1H (0.51) CACNA1HGAA
SCHEMBL12876210 0.64 CACNA1H (1.00) CACNA1H
SCHEMBL8210538 0.64 CACNA1H (0.63) CACNA1H
SCHEMBL5799771 0.60 PKM (0.50) GAAPOLBGFER
SCHEMBL12904902 0.55 TAS1R3 (0.47) POLBTAS1R3TAS1R1
SCHEMBL3241409 0.54 TAS1R3 (0.46) CYP2C9POLBTAS1R3TAS1R1
SCHEMBL711890 0.54 TAS1R3 (0.46) CYP2C9POLBTAS1R3TAS1R1
SCHEMBL28648395 0.53 L3MBTL1 (0.49) CYP2C9POLBTAS1R3TAS1R1
SCHEMBL10218991 0.53 TAS1R3 (0.49) CYP2C9POLBTAS1R3TAS1R1
SCHEMBL10218987 0.53 TAS1R3 (0.49) CYP2C9POLBTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008033464-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed