SCHEMBL13875752

SCHEMBL13875752

Cn1c(=O)[nH]c2c(N3CCNCC3)nc(Oc3ccccc3C#N)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
DPP4 P27487 4/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM1A O60341 1/20 0.36
DCK P27707 3/20 0.35
POLB P06746 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 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
SCHEMBL13876297 0.83 DPP4 (0.45) HTR2CDPP4CYP1A2CYP3A4HPGD
SCHEMBL13876930 0.82 DPP4 (0.38) HTR2CDPP4KDM4EKMT2AHSD17B10
SCHEMBL13866856 0.78 DPP4 (0.54) HTR2CDPP4
SCHEMBL13875671 0.77 DPP4 (0.38) DPP4KDM4ECYP1A2CYP3A4MAPT
SCHEMBL13876102 0.76 DPP4 (0.53) HTR2CDPP4MEN1LMNACYP1A2
SCHEMBL10244864 0.75 DPP4 (0.49) DPP4CYP3A4
SCHEMBL13875846 0.74 TLR7 (0.41) DPP4MEN1KMT2APOLBSIRT5
SCHEMBL13875849 0.74 DPP4 (0.39) HTR2CDPP4POLBSIRT5
Trifluoroacetic Acid SCHEMBL3874196 0.72 DPP4 (0.48) DPP4
SCHEMBL13875673 0.72 DPP4 (0.40) DPP4MEN1CYP1A2CYP3A4HPGD

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
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed