SCHEMBL13614356

SCHEMBL13614356

COc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2Cc2cn([C@H]3CCCc4cc(CN5CCN(C)CC5)ccc43)nn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.50
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
AVPR1B P47901 1/20 0.36
HTR6 P50406 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
SCHEMBL4335944 1.00 BDKRB1 (0.50) BDKRB1OXTRAVPR1AAVPR1BHTR6
SCHEMBL4337348 0.94 BDKRB1 (0.49) BDKRB1
SCHEMBL13614311 0.94 BDKRB1 (0.49) BDKRB1
SCHEMBL4337357 0.94 BDKRB1 (0.49) BDKRB1
SCHEMBL4345174 0.93 BDKRB1 (0.58) BDKRB1
SCHEMBL4342303 0.93 BDKRB1 (0.52) BDKRB1
SCHEMBL4342307 0.93 BDKRB1 (0.52) BDKRB1
SCHEMBL4345169 0.93 BDKRB1 (0.58) BDKRB1
SCHEMBL13614348 0.93 BDKRB1 (0.52) BDKRB1
SCHEMBL13614345 0.93 BDKRB1 (0.58) 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