SCHEMBL3362033

SCHEMBL3362033

CCN(Cc1ccccc1)C(=O)Nc1cnc(CN)c2cc(OC)c(OC)cc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.58
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3361700 0.91 DPP4 (0.57) DPP4MEN1KMT2ATSHRHTT
SCHEMBL3361425 0.90 DPP4 (0.53) DPP4TSHRHTTALOX15SMN1; SMN2
SCHEMBL3362038 0.88 DPP4 (0.57) DPP4TSHRHTTALOX15SMN1; SMN2
SCHEMBL3362425 0.86 DPP4 (0.50) DPP4TRPV1MEN1KMT2ATSHR
SCHEMBL3361000 0.81 DPP4 (0.61) DPP4MEN1KMT2A
Hydrochloric Acid SCHEMBL3362995 0.80 DPP4 (0.61) DPP4MEN1KMT2A
SCHEMBL3363084 0.79 DPP4 (0.53) DPP4HTTGAANPSR1
SCHEMBL3363173 0.77 DPP4 (0.61) DPP4
SCHEMBL8358590 0.77 ABCC1 (0.45) DPP4MEN1KMT2ATSHRHTT
SCHEMBL7716792 0.74 DPP4 (0.56) DPP4KMT2AHTTGAA

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