SCHEMBL5361900

SCHEMBL5361900

CCCN1CCC2(CC1)CCN(C(=O)COCCN(C)S(=O)(=O)c1c(C)cc(OC)cc1C)CC2

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.74

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
SCHEMBL5327665 0.93 BDKRB1 (0.75) BDKRB1
SCHEMBL4778020 0.91 BDKRB1 (0.78) BDKRB1
SCHEMBL5446729 0.89 BDKRB1 (0.70) BDKRB1
SCHEMBL17041855 0.89 BDKRB1 (0.83) BDKRB1
SCHEMBL5359054 0.88 BDKRB1 (0.67) BDKRB1
SCHEMBL5360213 0.87 BDKRB1 (0.80) BDKRB1
SCHEMBL14344933 0.86 BDKRB1 (0.69) BDKRB1
SCHEMBL6276073 0.86 BDKRB1 (0.84) BDKRB1
SCHEMBL14345106 0.86 BDKRB1 (0.65) BDKRB1
SCHEMBL6270529 0.86 BDKRB1 (0.87) 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 claimed