SCHEMBL765837

SCHEMBL765837

C=C(NCc1ccc(Oc2cccc(C(N)=O)c2)cc1)C1(NC(=O)c2cncnc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.46
PARP10 Q53GL7 2/20 0.43
TNKS O95271 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
SIRT2 Q8IXJ6 3/20 0.39
SIRT3 Q9NTG7 3/20 0.39
MAPK14 Q16539 3/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
MMP13 P45452 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR132 Q9UNW8 2/20 0.38
VNN1 O95497 2/20 0.37
SIRT1 Q96EB6 2/20 0.37
LOX P28300 3/20 0.37
LOXL2 Q9Y4K0 3/20 0.37

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
SCHEMBL765832 0.92 BDKRB1 (0.54) BDKRB1PARP10TNKSPARP15PARP14
SCHEMBL12239071 0.88 BDKRB1 (0.53) BDKRB1PARP10TNKSPARP15PARP14
SCHEMBL764455 0.82 BDKRB1 (0.57) BDKRB1PARP10PARP15PARP14MAPK14
SCHEMBL10121171 0.81 BDKRB1 (0.46) BDKRB1MAPK14CYP3A4
SCHEMBL12239066 0.81 BDKRB1 (0.49) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL765624 0.80 MAPK14 (0.53) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL10121225 0.80 BDKRB1 (0.58) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL10121359 0.80 BDKRB1 (0.55) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL764413 0.80 BDKRB1 (0.64) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL765176 0.79 BDKRB1 (0.51) BDKRB1PARP10PARP14LMNAHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed