SCHEMBL13614344

SCHEMBL13614344

COc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2Cc2cn([C@H]3CCCc4cc(CNCC(C)(C)C)ccc43)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.57
CYP3A4 P08684 1/20 0.42
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
AVPR1B P47901 1/20 0.36

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
SCHEMBL4346959 1.00 BDKRB1 (0.57) BDKRB1CYP3A4OXTRAVPR1AAVPR1B
SCHEMBL4335094 0.93 BDKRB1 (0.49) BDKRB1
SCHEMBL13614334 0.93 BDKRB1 (0.49) BDKRB1
SCHEMBL4335104 0.93 BDKRB1 (0.49) BDKRB1
SCHEMBL13614340 0.93 BDKRB1 (0.59) BDKRB1CYP3A4
SCHEMBL4351150 0.93 BDKRB1 (0.59) BDKRB1CYP3A4
SCHEMBL4351180 0.93 BDKRB1 (0.59) BDKRB1CYP3A4
SCHEMBL13614335 0.93 BDKRB1 (0.66) BDKRB1CYP3A4
SCHEMBL4331184 0.93 BDKRB1 (0.66) BDKRB1CYP3A4
SCHEMBL4342482 0.93 BDKRB1 (0.66) BDKRB1CYP3A4

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