SCHEMBL5789638

SCHEMBL5789638

O=C(NCc1n[nH]c(C(=O)O)c1Br)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.52
HPGD P15428 4/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4032813 0.79 BDKRB1 (0.80) BDKRB1
SCHEMBL5759000 0.78 HPGD (0.48) BDKRB1HPGDALDH1A1NPC1RAB9A
SCHEMBL5788513 0.72 HCAR2 (0.51) HPGDALDH1A1NPC1RAB9ACYP1A2
SCHEMBL5860823 0.71 NPC1 (0.71) HPGDALDH1A1NPC1RAB9ACYP1A2
SCHEMBL5788152 0.71 HPGD (0.48) BDKRB1HPGDALDH1A1NPC1RAB9A
SCHEMBL4703233 0.70 BDKRB1 (0.48) BDKRB1HPGDALDH1A1NPC1RAB9A
SCHEMBL5645103 0.69 HPGD (0.62) HPGDALDH1A1NPC1RAB9ACYP1A2
SCHEMBL26921872 0.69 APEX1 (0.57) HPGDALDH1A1NPC1RAB9ACYP1A2
SCHEMBL3789664 0.68 BDKRB1 (0.55) BDKRB1HPGDCYP1A2POLBSMN1; SMN2
SCHEMBL4704923 0.68 BDKRB1 (0.80) BDKRB1HPGDNPC1RAB9ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-A1 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 Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
EP-1633348-A1 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 Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed