SCHEMBL765204

SCHEMBL765204

Bc1cc(F)ccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.51
PTGER4 P35408 5/20 0.45
PTGER2 P43116 2/20 0.45
CXCR4 P61073 1/20 0.43
MAPK14 Q16539 3/20 0.40
CYP3A4 P08684 1/20 0.40
CNR1 P21554 1/20 0.37
METAP2 P50579 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 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
SCHEMBL10121385 0.89 BDKRB1 (0.53) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL765831 0.89 BDKRB1 (0.51) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL764495 0.89 BDKRB1 (0.51) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL764493 0.89 BDKRB1 (0.51) BDKRB1PTGER4PTGER2MAPK14CYP3A4
SCHEMBL10121362 0.88 BDKRB1 (0.58) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL764449 0.87 BDKRB1 (0.49) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL765639 0.86 BDKRB1 (0.50) BDKRB1PTGER4PTGER2MAPK14CYP3A4
SCHEMBL764429 0.85 BDKRB1 (0.58) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL10121359 0.84 BDKRB1 (0.55) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL13904099 0.84 BDKRB1 (0.51) BDKRB1PTGER4PTGER2CXCR4MAPK14

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