SCHEMBL6886544

SCHEMBL6886544

CC(=O)Oc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.49
▸ FAP Q12884 11/20 0.47
▸ PREP P48147 3/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ HTR7 P34969 2/20 0.45

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
SCHEMBL6887774 0.82 DPP4 (0.55) DPP4FAPPREPDPP8DPP9
SCHEMBL22811409 0.80 KMT2A (0.53) FAPPREPDPP8DPP9
SCHEMBL22811104 0.80 KMT2A (0.53) FAPPREPDPP8DPP9
SCHEMBL29359148 0.75 DPP4 (0.63) DPP4FAPPREP
SCHEMBL11386628 0.75 PREP (0.53) FAPPREP
SCHEMBL12031885 0.75 KMT2A (0.58) FAPPREPDPP8DPP9
SCHEMBL12031796 0.75 FAP (0.50) FAPPREP
SCHEMBL30493625 0.74 DPP4 (0.60) DPP4FAPPREP
SCHEMBL31324091 0.74 DPP4 (0.64) DPP4FAPPREPDPP8DPP9
SCHEMBL31324097 0.73 DPP4 (0.55) DPP4FAPPREP

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
WO-2011002808-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 — — WO disclosed
WO-2009082701-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-02 — — WO disclosed
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