SCHEMBL4701982

SCHEMBL4701982

C[C@@H](NC(=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.52
SMN1; SMN2 Q16637 2/20 0.40
GPR139 Q6DWJ6 1/20 0.40
MAPK1 P28482 5/20 0.39
LMNA P02545 1/20 0.39
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL4703245 0.93 BDKRB1 (0.54) BDKRB1SMN1; SMN2GPR139MAPK1F2
SCHEMBL4789160 0.93 BDKRB1 (0.61) BDKRB1SMN1; SMN2GPR139MAPK1F2
SCHEMBL4790151 0.93 BDKRB1 (0.61) BDKRB1SMN1; SMN2GPR139MAPK1F2
SCHEMBL4706286 0.92 BDKRB1 (0.53) BDKRB1SMN1; SMN2GPR139F2MAPT
SCHEMBL4705721 0.92 BDKRB1 (0.53) BDKRB1SMN1; SMN2GPR139F2MAPT
SCHEMBL4705076 0.90 BDKRB1 (0.52) BDKRB1SMN1; SMN2GPR139MAPK1F2
SCHEMBL4703765 0.89 BDKRB1 (0.50) BDKRB1SMN1; SMN2GPR139MAPK1F2
SCHEMBL6046051 0.87 BDKRB1 (0.58) BDKRB1SMN1; SMN2GPR139LMNAF2
SCHEMBL4705421 0.84 BDKRB1 (0.46) BDKRB1SMN1; SMN2GPR139F2MAPT
SCHEMBL4704918 0.83 BDKRB1 (0.46) BDKRB1SMN1; SMN2LMNAF2MAPT

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-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed