SCHEMBL7716792

SCHEMBL7716792

COc1cc2c(C(=O)N(C)Cc3ccccc3)cnc(CN)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.56
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
RXFP1 Q9HBX9 1/20 0.48
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
KMT2A Q03164 1/20 0.44

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
Hydrochloric Acid SCHEMBL3360508 0.99 DPP4 (0.56) DPP4HPGDGAARXFP1HTT
SCHEMBL3363889 0.85 DPP4 (0.59) DPP4HPGDGAARXFP1HTT
SCHEMBL3362127 0.83 DPP4 (0.60) DPP4RXFP1
SCHEMBL3362038 0.82 DPP4 (0.57) DPP4HPGDRXFP1HTTMAPT
Hydrochloric Acid SCHEMBL3361829 0.82 DPP4 (0.61) DPP4RXFP1
SCHEMBL3361175 0.81 HPGD (0.44) DPP4HPGDGAARXFP1HTT
SCHEMBL3360594 0.78 DPP4 (0.71) DPP4
SCHEMBL3363205 0.76 DPP4 (0.56) DPP4HPGDGAAHTT
SCHEMBL27655116 0.75 DPP4 (0.50) DPP4MAPTKMT2A
SCHEMBL3361000 0.75 DPP4 (0.61) DPP4KMT2A

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