SCHEMBL3364729

SCHEMBL3364729

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.50
CSNK2A1 P68400 2/20 0.39
GAA P10253 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36

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
SCHEMBL3361667 0.91 DPP4 (0.48) DPP4CSNK2A1GAANPC1RAB9A
SCHEMBL3365212 0.90 DPP4 (0.50) DPP4GAANPC1RAB9AMAPT
SCHEMBL3361788 0.89 DPP4 (0.61) DPP4GAANPC1RAB9AMAPT
SCHEMBL7720978 0.89 DPP4 (0.47) DPP4GAAMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3361781 0.88 DPP4 (0.62) DPP4GAANPC1RAB9AMAPT
SCHEMBL3363380 0.85 DPP4 (0.49) DPP4GAANPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL3365128 0.84 DPP4 (0.50) DPP4GAANPC1RAB9AMAPT
SCHEMBL3361186 0.83 GRM5 (0.41) CSNK2A1GAANPC1RAB9APOLB
SCHEMBL3364042 0.75 DPP4 (0.44) DPP4GAANPC1RAB9AMAPT
SCHEMBL3361560 0.75 DPP4 (0.74) DPP4GAALMNASMN1; SMN2

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 4 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
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed