SCHEMBL7716807

SCHEMBL7716807

COc1cc2c(NC(=O)N3CCN(C)CC3)cnc(CN)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.60
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PDGFRB P09619 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL8360050 0.89 DPP4 (0.61) DPP4KDM4EPDGFRBALDH1A1
SCHEMBL7720720 0.88 DPP4 (0.59) DPP4LMNA
SCHEMBL3361967 0.84 DPP4 (0.63) DPP4PDGFRB
SCHEMBL7716813 0.81 DPP4 (0.53) DPP4
SCHEMBL3363173 0.72 DPP4 (0.61) DPP4
SCHEMBL7723629 0.72 DPP4 (0.48) DPP4LMNA
SCHEMBL7720666 0.71 DPP4 (0.61) DPP4
Hydrochloric Acid SCHEMBL3362783 0.70 DPP4 (0.62) DPP4
SCHEMBL3362038 0.69 DPP4 (0.57) DPP4
SCHEMBL15134832 0.68 KDM4E (1.00) KDM4ETDP1ALDH1A1LMNA

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