SCHEMBL13614308

SCHEMBL13614308

O=C1NC=CN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1Cc1cn([C@H]2CCCc3cc(CN4CCC(F)CC4)ccc32)nn1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.49

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
SCHEMBL4336154 1.00 BDKRB1 (0.49) BDKRB1
SCHEMBL4342078 0.94 BDKRB1 (0.50) BDKRB1
SCHEMBL4342084 0.94 BDKRB1 (0.50) BDKRB1
SCHEMBL13614301 0.94 BDKRB1 (0.50) BDKRB1
SCHEMBL4338253 0.93 BDKRB1 (0.58) BDKRB1
SCHEMBL13614371 0.93 BDKRB1 (0.58) BDKRB1
SCHEMBL4338260 0.93 BDKRB1 (0.58) BDKRB1
SCHEMBL13614355 0.93 BDKRB1 (0.51) BDKRB1
SCHEMBL4335086 0.93 BDKRB1 (0.51) BDKRB1
SCHEMBL4337357 0.91 BDKRB1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed