SCHEMBL14865313

SCHEMBL14865313

Cc1cc(Nc2ccc(N)cc2C(F)(F)F)cnc1CNC(=O)C1(NC(=O)c2cncc(N)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.40
DHODH Q02127 1/20 0.33
EPHB2 P29323 1/20 0.32
DDR1 Q08345 1/20 0.32
DDR2 Q16832 1/20 0.32
PSMB11 A5LHX3 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMB1 P20618 1/20 0.31
PSMA1 P25786 1/20 0.31
PSMA2 P25787 1/20 0.31
PSMA3 P25788 1/20 0.31
PSMA4 P25789 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB9 P28065 1/20 0.31
PSMA5 P28066 1/20 0.31
PSMB4 P28070 1/20 0.31
PSMB6 P28072 1/20 0.31
PSMB5 P28074 1/20 0.31
PSMB10 P40306 1/20 0.31
PSMB3 P49720 1/20 0.31

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
SCHEMBL186010 0.93 BDKRB1 (0.39) BDKRB1DDR1CTSLCTSKCNR2
SCHEMBL186879 0.92 BDKRB1 (0.44) BDKRB1DHODHEPHB2DDR1DDR2
SCHEMBL2809999 0.88 BDKRB1 (0.36) BDKRB1DHODHCNR2
SCHEMBL185964 0.88 BDKRB1 (0.36) BDKRB1DHODHCNR2
SCHEMBL13128560 0.87 BDKRB1 (0.39) BDKRB1CTSLCTSSCTSKCNR2
SCHEMBL185700 0.86 CNR2 (0.38) BDKRB1DDR1CNR2
SCHEMBL2808203 0.86 CNR2 (0.38) BDKRB1DDR1CNR2
Hydrochloric Acid SCHEMBL2813916 0.86 BDKRB1 (0.39) BDKRB1CTSLCTSSCTSKCNR2
SCHEMBL185957 0.85 BDKRB1 (0.39) BDKRB1CNR2
SCHEMBL185507 0.85 BDKRB1 (0.38) BDKRB1DHODHEPHB2DDR1DDR2

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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed