SCHEMBL3361967

SCHEMBL3361967

CCOC(=O)CN1CCN(C(=O)Nc2cnc(CN)c3cc(OC)c(OC)cc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.63
PDGFRB P09619 1/20 0.42
P2RY12 Q9H244 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.40

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 0.88 DPP4 (0.61) DPP4PDGFRBMEN1KMT2ASMN1; SMN2
SCHEMBL7716807 0.84 DPP4 (0.60) DPP4PDGFRB
SCHEMBL7720720 0.81 DPP4 (0.59) DPP4SMN1; SMN2
SCHEMBL7716813 0.75 DPP4 (0.53) DPP4
SCHEMBL13792321 0.71 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL29356163 0.70 DPP4 (1.00) DPP4
SCHEMBL7723629 0.69 DPP4 (0.48) DPP4KMT2ASMN1; SMN2
SCHEMBL3361845 0.68 DPP4 (1.00) DPP4
SCHEMBL10826234 0.68 MAPT (0.68) KMT2ASMN1; SMN2FAAH
SCHEMBL3363173 0.67 DPP4 (0.61) DPP4

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 3 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