SCHEMBL3363380

SCHEMBL3363380

COc1cc(OC)c2c(CN)ncc(Nc3nc(C)cs3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.49
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.46
HPGD P15428 1/20 0.46
GCK P35557 5/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39

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
Hydrochloric Acid SCHEMBL3365128 0.99 DPP4 (0.50) DPP4MAPTALDH1A1GAAHPGD
SCHEMBL8358610 0.88 MAPT (0.44) DPP4MAPTALDH1A1GAAHPGD
SCHEMBL3364729 0.85 DPP4 (0.50) DPP4MAPTALDH1A1GAATUBB4A
SCHEMBL3361788 0.84 DPP4 (0.61) DPP4MAPTGAAHPGDNPC1
SCHEMBL3361667 0.84 DPP4 (0.48) DPP4MAPTALDH1A1GAATUBB4A
SCHEMBL3361757 0.84 DPP4 (0.52) DPP4MAPTALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL3361781 0.83 DPP4 (0.62) DPP4MAPTGAAHPGDNPC1
SCHEMBL3365212 0.83 DPP4 (0.50) DPP4MAPTALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL3361140 0.83 DPP4 (0.54) DPP4MAPTALDH1A1GAAHPGD
SCHEMBL7720978 0.82 DPP4 (0.47) DPP4MAPTALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US claimed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed