SCHEMBL4574529

SCHEMBL4574529

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 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
SCHEMBL4756646 0.82 SLC8A1 (0.33) SLC8A1
SCHEMBL4574018 0.82 SLC8A1 (0.33) SLC8A1
SCHEMBL2689406 0.81 SLC8A1 (0.32) SLC8A1
SCHEMBL4965120 0.81 BRD4 (0.35) SLC8A1
SCHEMBL4964853 0.80 ADRA1A (0.31) SLC8A1
SCHEMBL4964547 0.79 HTT (0.38) SLC8A1
SCHEMBL4755220 0.79 SLC8A1 (0.35) SLC8A1
SCHEMBL4962494 0.79 KMT2A (0.37) SLC8A1
SCHEMBL4964116 0.79 RAB9A (0.36) SLC8A1
SCHEMBL5138692 0.79 SLC8A1 (0.33) 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-2008095912-A2 ENANTIOPURE PHARMACOLOGICALLY ACTIVE TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-08-14 WO disclosed