SCHEMBL4590435

SCHEMBL4590435

COC1(C)CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccccc2C)O3)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 5/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL4590893 0.91 SLC8A1 (0.33) SLC8A1
SCHEMBL4962487 0.87 KMT2A (0.37) SLC8A1
SCHEMBL4962494 0.87 KMT2A (0.37) SLC8A1
SCHEMBL4964547 0.87 HTT (0.38) SLC8A1
SCHEMBL4964550 0.87 HTT (0.38) SLC8A1
SCHEMBL4574531 0.86 SLC8A1 (0.40) SLC8A1
SCHEMBL4574802 0.84 RORC (0.38) SLC8A1ADORA2B
SCHEMBL4574373 0.83 SLC8A1 (0.35) SLC8A1
SCHEMBL4756646 0.83 SLC8A1 (0.33) SLC8A1
SCHEMBL4590624 0.82 SLC8A1 (0.34) 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