SCHEMBL4790458

SCHEMBL4790458

O=C(NCCN1CCC(c2ccncc2)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.45
MAPK1 P28482 1/20 0.43
DRD3 P35462 1/20 0.41
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40

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
SCHEMBL6046052 0.89 BDKRB1 (0.49) BDKRB1PLD2PLD1
SCHEMBL4702492 0.88 BDKRB1 (0.52) BDKRB1
SCHEMBL4704254 0.88 BDKRB1 (0.47) BDKRB1PLD2PLD1
SCHEMBL4705843 0.87 BDKRB1 (0.44) BDKRB1PLD2PLD1
SCHEMBL4703557 0.86 BDKRB1 (0.49) BDKRB1DRD3
SCHEMBL4703878 0.86 BDKRB1 (0.44) BDKRB1MAPK1
SCHEMBL4701432 0.86 BDKRB1 (0.48) BDKRB1PLD2PLD1
SCHEMBL4789665 0.85 BDKRB1 (0.53) BDKRB1
SCHEMBL4789617 0.85 ACHE (0.44) BDKRB1
SCHEMBL4705015 0.85 HTT (0.51) MAPK1

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