SCHEMBL13614367

SCHEMBL13614367

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.49
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
SCHEMBL4339060 1.00 BDKRB1 (0.49) BDKRB1OXTRAVPR1AAVPR1B
SCHEMBL4339054 1.00 BDKRB1 (0.49) BDKRB1OXTRAVPR1AAVPR1B
SCHEMBL13614362 0.93 BDKRB1 (0.48) BDKRB1
SCHEMBL4338630 0.93 BDKRB1 (0.55) BDKRB1
SCHEMBL4338634 0.93 BDKRB1 (0.55) BDKRB1
SCHEMBL4335056 0.93 BDKRB1 (0.48) BDKRB1
SCHEMBL4335050 0.93 BDKRB1 (0.48) BDKRB1
SCHEMBL13614358 0.93 BDKRB1 (0.55) BDKRB1
SCHEMBL4336176 0.92 BDKRB1 (0.48) BDKRB1
SCHEMBL13614368 0.92 BDKRB1 (0.48) 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