SCHEMBL4705645

SCHEMBL4705645

CN1C[C@@H](NC(=O)Oc2nn(C)c(NC(=O)c3ccccc3Cl)c2Br)C(=O)N(C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.41
SCN9A Q15858 1/20 0.41
CCKBR P32239 4/20 0.40
CCKAR P32238 3/20 0.40
RIPK1 Q13546 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33

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
SCHEMBL14084992 0.87 BDKRB1 (0.51) BDKRB1CCKBRCCKARRIPK1MEN1
SCHEMBL4701105 0.85 CCKBR (0.40) BDKRB1SCN9ACCKBRCCKARRIPK1
SCHEMBL4701967 0.79 BDKRB1 (0.57) BDKRB1MEN1KMT2AALDH1A1
SCHEMBL14084920 0.77 RIPK1 (0.43) BDKRB1CCKBRCCKARRIPK1
SCHEMBL6045843 0.77 RIPK1 (0.43) BDKRB1CCKBRCCKARRIPK1
SCHEMBL4701844 0.74 BDKRB1 (0.42) BDKRB1MEN1KMT2APOLB
SCHEMBL4701720 0.74 BDKRB1 (0.39) BDKRB1SCN9ARIPK1
SCHEMBL4703604 0.72 BDKRB1 (0.39) BDKRB1CCKBRKMT2AALDH1A1CYP2D6
SCHEMBL4705804 0.72 RIPK1 (0.37) BDKRB1CCKBRCCKARRIPK1ALDH1A1
SCHEMBL4704015 0.72 CCKBR (0.62) BDKRB1CCKBRCCKAR

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