SCHEMBL5983472

SCHEMBL5983472

Cc1ccc(F)c(C(=O)Nc2cccc(N(C)C3CCNCC3)n2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FLT3 P36888 1/20 0.39
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA1 P78396 1/20 0.37
HTR1F P30939 2/20 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
OPRK1 P41145 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GRM5 P41594 1/20 0.35
MAPT P10636 1/20 0.35
NSD2 O96028 1/20 0.34

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
SCHEMBL5983353 0.90 FLT3 (0.43) MEN1KMT2AFLT3CCNA2CDK2
SCHEMBL5983275 0.90 MEN1 (0.54) MEN1KMT2AFLT3CCNA2CDK2
Hydrochloric Acid SCHEMBL5984136 0.84 HTR1F (0.51) MEN1KMT2AFLT3CCNA2CDK2
SCHEMBL5984129 0.81 CDK2 (0.45) FLT3CCNA2CDK2CDK1CCNB1
SCHEMBL5983641 0.81 FLT3 (0.45) FLT3CCNA2CDK2CDK1CCNB1
SCHEMBL12021012 0.81 HTR1F (0.50) MEN1KMT2AFLT3CCNA2CDK2
Hydrochloric Acid SCHEMBL5983376 0.80 HTR1F (0.49) MEN1KMT2AFLT3CCNA2CDK2
SCHEMBL5983475 0.79 HTR1F (0.48) MEN1KMT2AFLT3HTR1FCHRM5
Hydrochloric Acid SCHEMBL5984633 0.78 HTR1F (0.45) FLT3HTR1FHTR1DMAPTPAK4
SCHEMBL12878391 0.76 HTR1F (0.56) MEN1KMT2AHTR1FCHRM5DRD5

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