SCHEMBL4758773

SCHEMBL4758773

O=C(NC1CCc2ccccc2NC1=O)Oc1cc(NC(=O)c2ccccc2Cl)[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGL P06737 6/20 0.52
PYGM P11217 6/20 0.52
RIPK1 Q13546 13/20 0.45
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43

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
SCHEMBL6045987 0.86 PYGL (0.58) PYGLPYGMRIPK1CCNA2CDK2
SCHEMBL4701455 0.84 PYGL (0.49) PYGLPYGMRIPK1CCNA2CDK2
SCHEMBL6046058 0.78 PYGL (0.55) PYGLPYGMRIPK1
SCHEMBL6047127 0.77 PYGL (0.53) PYGLPYGMRIPK1
SCHEMBL4704248 0.73 PYGL (0.48) PYGLPYGMRIPK1CCNA2CDK2
SCHEMBL4705023 0.71 RIPK1 (0.49) RIPK1
SCHEMBL4704148 0.70 BDKRB1 (0.61) CCNA2CDK2CCNA1
SCHEMBL4705690 0.69 HPGD (0.38) CCNA2CDK2CCNA1
SCHEMBL4706289 0.68 BDKRB1 (0.56) CCNA2CDK2CCNA1
SCHEMBL5867482 0.68 CCNA2 (0.64) CCNA2CDK2CCNA1

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