SCHEMBL4701675

SCHEMBL4701675

C[C@H](c1ccccc1)N(C)C(=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.49
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GPR139 Q6DWJ6 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MTOR P42345 1/20 0.37
SMO Q99835 1/20 0.36

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
SCHEMBL3793247 0.83 BDKRB1 (0.52) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4789160 0.83 BDKRB1 (0.61) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4790151 0.83 BDKRB1 (0.61) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4701404 0.82 BDKRB1 (0.49) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4789234 0.81 BDKRB1 (0.52) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4704300 0.81 BDKRB1 (0.50) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4702172 0.79 BDKRB1 (0.47) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4789942 0.79 BDKRB1 (0.45) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4790303 0.79 BDKRB1 (0.45) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4789563 0.79 BDKRB1 (0.45) BDKRB1F2MAPTHPGDKMT2A

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