SCHEMBL27604336

SCHEMBL27604336

O=C(O)N1CCN(c2nc3cnn(COCc4ccccc4)c(=O)c3n2Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.43
DPP4 P27487 2/20 0.40
LMNA P02545 1/20 0.39
GRM5 P41594 3/20 0.39
CHRM1 P11229 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2960778 0.79 DPP4 (0.51) DPP4LMNACHRM1
SCHEMBL5776466 0.79 MGLL (0.45) GRM5MAPT
SCHEMBL13217398 0.79 DPP4 (0.49) DPP4CHRM1
SCHEMBL27623275 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRHTTHSD17B10
SCHEMBL13200272 0.75 DPP4 (0.65) DPP4CHRM1
SCHEMBL8352589 0.74 HTR3A (0.61) DPP4CHRM1
Trifluoroacetic Acid SCHEMBL2952261 0.74 DPP4 (0.58) DPP4CHRM1
SCHEMBL13200873 0.72 DPP4 (0.56) DPP4CHRM1
SCHEMBL13200861 0.72 DPP4 (0.56) DPP4CHRM1
SCHEMBL27604338 0.71 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100469778-C Novel fused imidazole derivatives EISAI R&D MAN CO LTD (JP) 2009-03-18 CN disclosed
CN-100348599-C Novel fused imidazole derivatives EISAI CO LTD (JP) 2007-11-14 CN disclosed
CN-1931859-A New fused imidazole derivative EISAI CO LTD (JP) 2007-03-21 CN disclosed
CN-1700911-A Combination drug EISAI CO LTD (JP) 2005-11-23 CN disclosed
CN-1675208-A Novel fused imidazole derivatives EISAI CO LTD (JP) 2005-09-28 CN disclosed