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SCHEMBL2792006

SCHEMBL2792006

COCCCn1c(C)c(C(F)(F)F)c(C(F)(F)F)c1[C@@H]1CCCN(C(=O)C[C@H](N)Cc2ccc(-c3ccc(O)nc3)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 13/20 0.34
▸ DPP8 Q6V1X1 4/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RIPK1 Q13546 2/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ SCN9A Q15858 3/20 0.31

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
SCHEMBL2789267 0.92 DPP4 (0.34) DPP4DPP8DPP9ALDH1A1TSHR
SCHEMBL2790575 0.89 DPP4 (0.37) DPP4DPP8DPP9ALDH1A1TSHR
SCHEMBL2789934 0.87 DPP4 (0.34) DPP4DPP8DPP9ALDH1A1TSHR
SCHEMBL7890034 0.87 DPP4 (0.35) DPP4DPP8DPP9ALDH1A1TSHR
SCHEMBL2789744 0.84 DPP4 (0.34) DPP4DPP8DPP9ALDH1A1TSHR
SCHEMBL7899653 0.84 DPP4 (0.34) DPP4DPP8DPP9ALDH1A1TSHR
SCHEMBL2793656 0.84 DPP4 (0.34) DPP4DPP8DPP9ALDH1A1TSHR
SCHEMBL2789742 0.84 DPP4 (0.34) DPP4DPP8DPP9ALDH1A1TSHR
SCHEMBL2818318 0.84 PROKR1 (0.42) DPP4ALDH1A1TSHRKMT2A
SCHEMBL2816909 0.84 PROKR1 (0.42) DPP4ALDH1A1TSHRKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed