SCHEMBL13201030

SCHEMBL13201030

CC#CCn1c(N2CCNCC2)nc2cc(C(N)=O)n(Cc3ccccc3C#N)c(=O)c21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.53
FAP Q12884 5/20 0.48
CHRM1 P11229 3/20 0.46
DPP9 Q86TI2 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL2963748 0.95 DPP4 (0.49) DPP4FAPCHRM1DPP9CYP3A4
SCHEMBL13217920 0.90 DPP4 (0.47) DPP4CYP3A4
Trifluoroacetic Acid SCHEMBL2957735 0.86 DPP4 (0.48) DPP4FAPCHRM1DPP9CYP3A4
SCHEMBL13201012 0.82 DPP4 (0.58) DPP4FAPCHRM1
SCHEMBL13947795 0.81 DPP4 (0.55) DPP4FAPCHRM1DPP9
SCHEMBL2958387 0.81 DPP4 (0.56) DPP4FAPCHRM1DPP9
SCHEMBL2965678 0.81 DPP4 (0.66) DPP4FAPCHRM1
SCHEMBL5719413 0.81 DPP4 (0.77) DPP4FAPDPP9
Hydrochloric Acid SCHEMBL2956318 0.80 DPP4 (0.56) DPP4FAPCHRM1DPP9
SCHEMBL13201025 0.80 DPP4 (0.60) DPP4FAPCHRM1DPP9

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-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed