SCHEMBL4756646

SCHEMBL4756646

Cc1ccccc1[C@@H]1CCc2c(C(N)=O)cc3c(nc(C)n3C)c2O1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 13/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
PARP1 P09874 1/20 0.33
CD38 P28907 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL4965120 0.89 BRD4 (0.35) SLC8A1
SCHEMBL2689406 0.89 SLC8A1 (0.32) SLC8A1
SCHEMBL4666543 0.88 RAB9A (0.35) SLC8A1CYP11B1CYP11B2PARP1
SCHEMBL4964547 0.87 HTT (0.38) SLC8A1
SCHEMBL4964116 0.87 RAB9A (0.36) SLC8A1
SCHEMBL4962494 0.87 KMT2A (0.37) SLC8A1
SCHEMBL4574962 0.87 SLC8A1 (0.33) SLC8A1
SCHEMBL4574970 0.87 SLC8A1 (0.33) SLC8A1
SCHEMBL4574967 0.87 SLC8A1 (0.33) SLC8A1
SCHEMBL4574531 0.86 SLC8A1 (0.40) SLC8A1

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-2008151927-A2 6-N-SUBSTITUTED BENZ IMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS NYCOMED GMBH (DE) 2008-12-18 WO disclosed