SCHEMBL3362425

SCHEMBL3362425

CCN(Cc1ccccc1)C(=O)Nc1cnc(CN)c2c(OC)cc(OC)cc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.50
TSHR P16473 3/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
ROCK2 O75116 4/20 0.42
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38

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
SCHEMBL3361996 0.92 DPP4 (0.49) DPP4TSHRHTTGAAROCK2
SCHEMBL7720962 0.89 DPP4 (0.49) DPP4TSHRHTTGAAROCK2
SCHEMBL3362033 0.86 DPP4 (0.58) DPP4TSHRHTTGAATRPV1
SCHEMBL3366103 0.85 TSHR (0.40) DPP4TSHRHTTGAATRPV1
SCHEMBL3361514 0.83 GAA (0.44) DPP4TSHRHTTGAATRPV1
SCHEMBL3363078 0.83 DPP4 (0.58) DPP4
SCHEMBL3361478 0.82 DPP4 (0.45) DPP4HTTGAASMN1; SMN2
SCHEMBL3362219 0.81 GAA (0.49) DPP4TSHRHTTGAAROCK2
SCHEMBL3361425 0.79 DPP4 (0.53) DPP4TSHRHTTGAAROCK2
SCHEMBL3361355 0.79 DPP4 (0.55) DPP4TSHRROCK2MEN1KMT2A

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