SCHEMBL764434

SCHEMBL764434

CC(O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4nccn4C)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 2/20 0.38
BDKRB1 P46663 1/20 0.36
AR P10275 2/20 0.34
ALK Q9UM73 2/20 0.34
ROS1 P08922 1/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 1/20 0.34
PSMA4 P25789 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
PSMA5 P28066 1/20 0.34
PSMB4 P28070 1/20 0.34
PSMB6 P28072 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB10 P40306 1/20 0.34
PSMB3 P49720 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
SCHEMBL13166115 0.95 DDR2 (0.36) DDR2BDKRB1ARALKROS1
SCHEMBL13165774 0.92 DDR2 (0.38) DDR2BDKRB1ARALKROS1
SCHEMBL12238936 0.89 P2RX7 (0.40) DDR2BDKRB1ARKDM4EPOLB
SCHEMBL764459 0.85 GRM2 (0.45) DDR2BDKRB1ALKROS1PSMB11
SCHEMBL765827 0.85 BDKRB1 (0.39) DDR2BDKRB1ALKROS1PSMB11
SCHEMBL765640 0.85 SCN9A (0.38) DDR2BDKRB1PSMB11PSMA7PSMB1
SCHEMBL13904206 0.85 BDKRB1 (0.39) DDR2BDKRB1PSMB11PSMA7PSMB1
SCHEMBL765174 0.85 DDR2 (0.38) DDR2BDKRB1ALKROS1PSMB11
SCHEMBL764440 0.85 SCD (0.37) DDR2BDKRB1ARALKROS1
SCHEMBL10121197 0.84 DDR2 (0.41) DDR2BDKRB1MAPTMETCSF1R

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