SCHEMBL28797915

SCHEMBL28797915

CC(C)(C)[C@H](N)C(=O)N1CCCC1NC=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.56
▸ DPP8 Q6V1X1 12/20 0.56
▸ DPP7 Q9UHL4 12/20 0.56
▸ DPP9 Q86TI2 11/20 0.56
▸ FAP Q12884 9/20 0.56
▸ PITRM1 Q5JRX3 4/20 0.44
▸ PREP P48147 3/20 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
SCHEMBL27896434 0.80 CYP3A4 (0.39) DPP4DPP8DPP7DPP9FAP
SCHEMBL8097043 0.78 DPP4 (0.60) DPP4DPP8DPP7DPP9FAP
SCHEMBL23667668 0.78 DPP4 (0.60) DPP4DPP8DPP7DPP9FAP
SCHEMBL29091404 0.77 DPP4 (0.33) DPP4DPP8DPP7DPP9FAP
SCHEMBL20652626 0.75 DPP4 (0.65) DPP4DPP8DPP7DPP9FAP
SCHEMBL27879636 0.75 CHRM2 (0.37) DPP4DPP8DPP9FAPPREP
SCHEMBL28232406 0.75 HSD17B10 (0.47) —
SCHEMBL17814214 0.74 DPP4 (0.63) DPP4DPP8DPP7DPP9FAP
SCHEMBL28054771 0.73 ACE (0.45) DPP4DPP8DPP7DPP9FAP
SCHEMBL9966602 0.73 DPP4 (0.61) DPP4DPP8DPP7DPP9FAP

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
CN-102459165-A Anti-viral compounds ABBOTT LAB 2012-05-16 — — CN disclosed
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