SCHEMBL4789160

SCHEMBL4789160

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.61
GPR139 Q6DWJ6 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
F2 P00734 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMO Q99835 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL4790151 1.00 BDKRB1 (0.61) BDKRB1GPR139SMN1; SMN2KMT2AF2
SCHEMBL4703245 0.94 BDKRB1 (0.54) BDKRB1GPR139SMN1; SMN2KMT2AF2
SCHEMBL4705721 0.93 BDKRB1 (0.53) BDKRB1GPR139SMN1; SMN2KMT2AF2
SCHEMBL4706286 0.93 BDKRB1 (0.53) BDKRB1GPR139SMN1; SMN2KMT2AF2
SCHEMBL4701982 0.93 BDKRB1 (0.52) BDKRB1GPR139SMN1; SMN2KMT2AF2
SCHEMBL4705076 0.92 BDKRB1 (0.52) BDKRB1GPR139SMN1; SMN2KMT2AF2
SCHEMBL4703765 0.90 BDKRB1 (0.50) BDKRB1GPR139SMN1; SMN2KMT2AF2
SCHEMBL4704300 0.90 BDKRB1 (0.50) BDKRB1GPR139SMN1; SMN2KMT2AF2
SCHEMBL4704974 0.90 BDKRB1 (0.55) BDKRB1GPR139SMN1; SMN2KMT2AF2
SCHEMBL4789522 0.89 BDKRB1 (0.54) BDKRB1GPR139SMN1; SMN2KMT2AF2

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