SCHEMBL5983353

SCHEMBL5983353

CN(c1cccc(NC(=O)c2c(F)ccc(Cl)c2F)n1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SORT1 Q99523 1/20 0.42
CDK2 P24941 4/20 0.40
CCNA2 P20248 3/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 1/20 0.40
MAPK7 Q13164 2/20 0.38
SCN9A Q15858 1/20 0.37
HTR1F P30939 2/20 0.37
CCNA1 P78396 3/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM5 P08912 1/20 0.37
DRD5 P21918 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1E P28566 1/20 0.37
HTR7 P34969 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
SCHEMBL5983472 0.90 MEN1 (0.43) FLT3MEN1KMT2ASORT1CDK2
SCHEMBL5983275 0.90 MEN1 (0.54) FLT3MEN1KMT2ACDK2CCNA2
SCHEMBL5984129 0.88 CDK2 (0.45) FLT3CDK2CCNA2MAPK7CCNA1
SCHEMBL5983641 0.87 FLT3 (0.45) FLT3SORT1CDK2CCNA2CHRM1
Hydrochloric Acid SCHEMBL5984136 0.84 HTR1F (0.51) FLT3MEN1KMT2ACDK2CCNA2
SCHEMBL12020910 0.82 SLC6A2 (0.44) FLT3MEN1KMT2ASORT1HTR1F
Hydrochloric Acid SCHEMBL5983739 0.81 CCNA2 (0.45) FLT3KMT2ACDK2CCNA2CHRM1
SCHEMBL12021012 0.81 HTR1F (0.50) FLT3MEN1KMT2ACDK2CCNA2
Hydrochloric Acid SCHEMBL5983376 0.80 HTR1F (0.49) FLT3MEN1KMT2ACDK2CCNA2
SCHEMBL5983475 0.79 HTR1F (0.48) FLT3MEN1KMT2AHTR1FL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663971-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS Eli Lilly and Company (US) 2006-06-07 EP disclosed
WO-2005035499-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2005-04-21 WO disclosed