SCHEMBL765818

SCHEMBL765818

NOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4ccnc(C(F)(F)F)c4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.41
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGFR P00533 1/20 0.35
BRAF P15056 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
DDR1 Q08345 1/20 0.35
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
DDR2 Q16832 2/20 0.34
SCD O00767 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 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
SCHEMBL10121524 0.93 BDKRB1 (0.44) BDKRB1LMNAHTTSMN1; SMN2KDM1A
SCHEMBL10121214 0.92 BDKRB1 (0.40) BDKRB1MAPK14KDM1AHDAC1DDR2
SCHEMBL765844 0.89 BDKRB1 (0.42) BDKRB1MAPK14DDR2SCDPTGER4
SCHEMBL765198 0.84 BDKRB1 (0.42) BDKRB1KDM1AHDAC1
SCHEMBL765544 0.84 BDKRB1 (0.42) BDKRB1KDM1AHDAC1
SCHEMBL756525 0.84 BDKRB1 (0.42) BDKRB1KDM1AHDAC1
SCHEMBL757814 0.84 BDKRB1 (0.42) BDKRB1KDM1AHDAC1
SCHEMBL764481 0.84 BDKRB1 (0.42) BDKRB1SMN1; SMN2KDM1AHDAC1DDR1
SCHEMBL10121111 0.82 BDKRB1 (0.37) BDKRB1HTTMAPK14PTGER4PTGER2
SCHEMBL765643 0.82 BDKRB1 (0.45) BDKRB1

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