SCHEMBL4790056

SCHEMBL4790056

CCN1C(=O)[C@H](NC(=O)Oc2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)COc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 16/20 0.45
XIAP P98170 4/20 0.42
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 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
SCHEMBL4702545 0.90 RIPK1 (0.51) RIPK1NR1I2CYP2C9
SCHEMBL14084908 0.89 RIPK1 (0.49) RIPK1XIAP
SCHEMBL4705023 0.85 RIPK1 (0.49) RIPK1XIAPNR1I2CYP2C9
SCHEMBL14084905 0.79 RIPK1 (0.61) RIPK1
SCHEMBL14084910 0.79 RIPK1 (0.57) RIPK1XIAP
SCHEMBL4701720 0.79 BDKRB1 (0.39) RIPK1XIAP
SCHEMBL4704722 0.79 CCKBR (0.53)
SCHEMBL4701105 0.79 CCKBR (0.40) RIPK1CYP2C9
SCHEMBL4702034 0.78 BDKRB1 (0.42) CYP2C9
SCHEMBL4705804 0.77 RIPK1 (0.37) RIPK1CYP2C9

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