SCHEMBL13063150

SCHEMBL13063150

COc1cc(C)c(SN(C)CCOCC(=O)N(C)CC2CCN(CCCN(C)C)CC2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.49
GSK3B P49841 1/20 0.41
OPRM1 P35372 1/20 0.36
SLC6A4 P31645 1/20 0.35

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
SCHEMBL13876908 0.95 BDKRB1 (0.46) BDKRB1GSK3B
SCHEMBL3440002 0.84 BDKRB1 (0.70) BDKRB1
SCHEMBL13876989 0.82 BDKRB1 (0.51) BDKRB1
SCHEMBL12012120 0.82 BDKRB1 (0.39) BDKRB1
SCHEMBL10118698 0.81 BDKRB1 (0.46) BDKRB1
SCHEMBL13063102 0.80 BDKRB1 (0.38) BDKRB1
SCHEMBL3440535 0.79 BDKRB1 (0.66) BDKRB1
SCHEMBL15372791 0.79 BDKRB1 (0.45) BDKRB1
SCHEMBL12010185 0.79 BDKRB1 (0.66) BDKRB1
SCHEMBL3440114 0.79 BDKRB1 (0.66) 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
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed