SCHEMBL6206885

SCHEMBL6206885

CC(=O)N(C)C1CN(c2ccc(N)cc2)CC1O.CC(=O)N(C)[C@H]1CNC[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.38
CASP6 P55212 1/20 0.38
CDK1 P06493 2/20 0.33
CDK2 P24941 2/20 0.33
MCHR1 Q99705 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ADRA2C P18825 1/20 0.31
KMT2A Q03164 1/20 0.31
PTK2B Q14289 1/20 0.31
ESR2 Q92731 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
BPTF Q12830 1/20 0.30

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
SCHEMBL6206887 1.00 GFER (0.38) GFERCASP6CDK1CDK2MCHR1
SCHEMBL6206883 1.00 GFER (0.38) GFERCASP6CDK1CDK2MCHR1
SCHEMBL1749320 0.91 GFER (0.44) GFERCASP6CDK1CDK2MCHR1
SCHEMBL6206886 0.88 GFER (0.34) GFERCASP6CDK1CDK2KDM4E
SCHEMBL1749111 0.76 MAPT (0.41) GFERCASP6CDK1CDK2KDM4E
SCHEMBL1749109 0.76 MAPT (0.41) GFERCASP6CDK1CDK2KDM4E
SCHEMBL1749110 0.76 MAPT (0.41) GFERCASP6CDK1CDK2KDM4E
SCHEMBL1749513 0.75 GFER (0.49) GFERCASP6MCHR1KDM4EALDH1A1
SCHEMBL1749166 0.74 GBA1 (0.44) GAA
SCHEMBL1749164 0.74 GBA1 (0.44) GAA

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-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed