SCHEMBL765809

SCHEMBL765809

O=C(NC1(C(=O)NCc2ccc(Oc3cc(C(=O)OCl)ccc3Cl)cc2)CC1)c1cncnc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.51
MAPK14 Q16539 3/20 0.42
CNR1 P21554 1/20 0.38
CYP3A4 P08684 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PTGER4 P35408 4/20 0.36
PTGER2 P43116 2/20 0.36
LIPG Q9Y5X9 1/20 0.35
F10 P00742 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10121373 0.93 BDKRB1 (0.58) BDKRB1MAPK14CNR1CYP3A4PTGDR2
SCHEMBL765558 0.90 BDKRB1 (0.50) BDKRB1MAPK14CNR1CYP3A4PTGDR2
SCHEMBL12239081 0.90 BDKRB1 (0.52) BDKRB1MAPK14CNR1CYP3A4PTGDR2
SCHEMBL765647 0.89 BDKRB1 (0.52) BDKRB1MAPK14CNR1CYP3A4PTGDR2
SCHEMBL765556 0.88 BDKRB1 (0.51) BDKRB1MAPK14CNR1CYP3A4PTGDR2
SCHEMBL765555 0.88 BDKRB1 (0.53) BDKRB1MAPK14CNR1CYP3A4PTGDR2
SCHEMBL12262023 0.88 BDKRB1 (0.55) BDKRB1MAPK14CNR1CYP3A4F10
SCHEMBL764501 0.85 BDKRB1 (0.49) BDKRB1MAPK14CNR1CYP3A4PTGDR2
SCHEMBL765538 0.85 BDKRB1 (0.58) BDKRB1MAPK14CNR1CYP3A4LMNA
SCHEMBL765617 0.84 BDKRB1 (0.52) BDKRB1MAPK14CNR1CYP3A4PTGER4

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