SCHEMBL6409214

SCHEMBL6409214

CC#CCn1c(N2CCN(C(=O)O)C(C(C)(C)C)C2)nc(C(=O)OCC)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
DPP4 P27487 12/20 0.33
CHRM1 P11229 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
P2RY12 Q9H244 3/20 0.31
IDH1 O75874 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
SCHEMBL2958379 0.79 KCNH2 (0.46) ALDH1A1MEN1KMT2ALMNA
SCHEMBL2964453 0.71 KDM4E (0.40) ALDH1A1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL6417212 0.70 DPP4 (0.33) DPP4CHRM1
SCHEMBL6422754 0.70 DPP4 (0.44) DPP4CHRM1
SCHEMBL2965832 0.70 DPP4 (0.46) DPP4CHRM1
SCHEMBL6410010 0.70 DPP4 (0.45) DPP4CHRM1
SCHEMBL6425924 0.69 DPP4 (0.42) ALDH1A1DPP4CHRM1
SCHEMBL6425388 0.69 DPP4 (0.43) ALDH1A1DPP4CHRM1
SCHEMBL13217491 0.68 KCNH2 (0.54) ALDH1A1MEN1KMT2ALMNA
SCHEMBL6450605 0.67 DPP4 (0.45) DPP4CHRM1

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-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed