SCHEMBL14357397

SCHEMBL14357397

CN(C)C(=O)Nc1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)CCc2ccc(C3=NCCN3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.53
NISCH Q9Y2I1 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5388970 0.96 BDKRB1 (0.52) BDKRB1NISCHSMN1; SMN2LMNAHTT
SCHEMBL5389050 0.92 NISCH (0.54) BDKRB1NISCHSMN1; SMN2LMNAHTT
Trifluoroacetic Acid SCHEMBL5384393 0.90 BDKRB1 (0.50) BDKRB1NISCHSMN1; SMN2LMNAHTT
SCHEMBL5384566 0.88 BDKRB1 (0.56) BDKRB1NISCHSMN1; SMN2LMNAHTT
SCHEMBL5381878 0.88 BDKRB1 (0.56) BDKRB1NISCHSMN1; SMN2LMNAHTT
SCHEMBL5393603 0.88 BDKRB1 (0.59) BDKRB1NISCHSMN1; SMN2LMNAHTT
SCHEMBL5392295 0.88 BDKRB1 (0.56) BDKRB1NISCH
SCHEMBL5383552 0.88 BDKRB1 (0.56) BDKRB1NISCHSMN1; SMN2MEN1POLB
SCHEMBL5402622 0.88 BDKRB1 (0.56) BDKRB1NISCHSMN1; SMN2
SCHEMBL5383663 0.88 BDKRB1 (0.60) BDKRB1NISCHSMN1; SMN2LMNAHTT

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-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed