SCHEMBL4706285

SCHEMBL4706285

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 2/20 0.41
F2 P00734 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
F2R P25116 1/20 0.38
HDAC4 P56524 1/20 0.37

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
SCHEMBL6045924 0.84 NTRK1 (0.44) BDKRB1SMN1; SMN2HPGDF2MAPT
SCHEMBL4706289 0.83 BDKRB1 (0.56) BDKRB1SMN1; SMN2HPGDF2MAPT
SCHEMBL4789942 0.80 BDKRB1 (0.45) BDKRB1SMN1; SMN2HPGDF2MAPT
SCHEMBL4790303 0.80 BDKRB1 (0.45) BDKRB1SMN1; SMN2HPGDF2MAPT
SCHEMBL4789563 0.80 BDKRB1 (0.45) BDKRB1SMN1; SMN2HPGDF2MAPT
SCHEMBL6045870 0.73 BDKRB1 (0.48) BDKRB1SMN1; SMN2HPGDF2MAPT
SCHEMBL6045922 0.73 BDKRB1 (0.48) BDKRB1SMN1; SMN2HPGDF2MAPT
SCHEMBL6045839 0.73 BDKRB1 (0.48) BDKRB1SMN1; SMN2HPGDF2MAPT
SCHEMBL4705427 0.72 BDKRB1 (0.58) BDKRB1SMN1; SMN2HPGDF2MAPT
SCHEMBL4706713 0.72 BDKRB1 (0.43) BDKRB1SMN1; SMN2HPGDF2MAPT

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