SCHEMBL4701432

SCHEMBL4701432

O=C(NCCN1CCC(N2CCCCC2)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.48
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 3/20 0.40
SMYD2 Q9NRG4 1/20 0.39
HPGD P15428 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
SCHEMBL4703878 0.93 BDKRB1 (0.44) BDKRB1HPGD
SCHEMBL4705843 0.92 BDKRB1 (0.44) BDKRB1PLD2PLD1HPGD
SCHEMBL4704254 0.90 BDKRB1 (0.47) BDKRB1PLD2PLD1MEN1KMT2A
SCHEMBL6045893 0.89 BDKRB1 (0.52) BDKRB1PLD2PLD1MEN1KMT2A
SCHEMBL4703557 0.88 BDKRB1 (0.49) BDKRB1KMT2A
SCHEMBL4789617 0.86 ACHE (0.44) BDKRB1MCHR1
SCHEMBL4705015 0.86 HTT (0.51)
SCHEMBL4790458 0.86 BDKRB1 (0.45) BDKRB1PLD2PLD1
SCHEMBL4790592 0.84 BDKRB1 (0.68) BDKRB1MEN1KMT2A
SCHEMBL4703795 0.83 BDKRB1 (0.41) BDKRB1MCHR1

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