SCHEMBL14344690

SCHEMBL14344690

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CC3(CCN(C)CC3)C2)c(C)c1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.75

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
SCHEMBL14344646 0.95 BDKRB1 (0.69) BDKRB1
SCHEMBL4778020 0.94 BDKRB1 (0.78) BDKRB1
SCHEMBL14344616 0.87 BDKRB1 (0.64) BDKRB1
SCHEMBL5446729 0.87 BDKRB1 (0.70) BDKRB1
SCHEMBL3993662 0.86 BDKRB1 (0.86) BDKRB1
SCHEMBL14344933 0.86 BDKRB1 (0.69) BDKRB1
SCHEMBL3995046 0.86 BDKRB1 (1.00) BDKRB1
SCHEMBL14344647 0.85 BDKRB1 (0.64) BDKRB1
SCHEMBL5361900 0.85 BDKRB1 (0.74) BDKRB1
SCHEMBL14344970 0.85 BDKRB1 (0.75) BDKRB1

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-2007140383-A2 SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2007-12-06 WO disclosed