SCHEMBL12845233

SCHEMBL12845233

CCn1c(=O)n(Cc2ccccc2C#N)c2nc(OC)nc(N3CCNCC3)c21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.51
CYP3A4 P08684 4/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL10190443 0.90 DPP4 (0.51) DPP4KMT2A
SCHEMBL13876139 0.85 HTR3A (0.39) DPP4ALDH1A1
Trifluoroacetic Acid SCHEMBL3880948 0.84 DPP4 (0.45) DPP4
SCHEMBL13876133 0.84 DPP4 (0.57) DPP4CYP3A4KMT2A
SCHEMBL10244864 0.82 DPP4 (0.49) DPP4CYP3A4
SCHEMBL10219640 0.78 DPP4 (0.44) DPP4L3MBTL1ALDH1A1
SCHEMBL13866920 0.77 DPP4 (0.48) DPP4
SCHEMBL10222244 0.76 DPP4 (0.43) DPP4L3MBTL1ALDH1A1
SCHEMBL13867042 0.74 DPP4 (0.56) DPP4KMT2A
SCHEMBL5640697 0.72 DPP4 (0.58) DPP4L3MBTL1ALDH1A1

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