SCHEMBL10121385

SCHEMBL10121385

Cc1cc(F)ccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.53
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PTGER4 P35408 5/20 0.45
PTGER2 P43116 2/20 0.45
MAPK14 Q16539 2/20 0.43
CXCR4 P61073 1/20 0.43
CYP3A4 P08684 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
CNR1 P21554 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SCN9A Q15858 1/20 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
SCHEMBL12239078 0.91 BDKRB1 (0.54) BDKRB1CARM1PRMT6MAPK14CYP3A4
SCHEMBL765565 0.90 BDKRB1 (0.56) BDKRB1MAPK14CYP3A4LIPGL3MBTL1
SCHEMBL764495 0.89 BDKRB1 (0.51) BDKRB1CARM1PRMT6PTGER4PTGER2
SCHEMBL765831 0.89 BDKRB1 (0.51) BDKRB1PTGER4PTGER2MAPK14CXCR4
SCHEMBL765204 0.89 BDKRB1 (0.51) BDKRB1CARM1PRMT6PTGER4PTGER2
SCHEMBL765842 0.89 BDKRB1 (0.53) BDKRB1CARM1PRMT6PTGER4MAPK14
SCHEMBL765546 0.89 BDKRB1 (0.53) BDKRB1CARM1PRMT6PTGER4PTGER2
SCHEMBL764461 0.89 BDKRB1 (0.61) BDKRB1MAPK14CYP3A4CNR1
SCHEMBL10121362 0.88 BDKRB1 (0.58) BDKRB1PTGER4PTGER2MAPK14CXCR4
SCHEMBL12239059 0.87 BDKRB1 (0.53) BDKRB1PTGER4PTGER2MAPK14CXCR4

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