SCHEMBL23567893

SCHEMBL23567893

CC(C)Oc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 9/20 0.86
DPP4 P27487 8/20 0.86
PREP P48147 3/20 0.86
FAP Q12884 6/20 0.79
DPP8 Q6V1X1 2/20 0.78
PITRM1 Q5JRX3 1/20 0.73

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
SCHEMBL15130011 0.93 DPP9 (1.00) DPP9DPP4PREPFAPDPP8
SCHEMBL15130010 0.93 DPP9 (1.00) DPP9DPP4PREPFAPDPP8
SCHEMBL29319358 0.91 DPP9 (0.81) DPP9DPP4PREPFAPDPP8
SCHEMBL30338169 0.90 DPP9 (0.84) DPP9DPP4PREPFAPDPP8
SCHEMBL29286011 0.90 DPP9 (0.84) DPP9DPP4PREPFAPDPP8
SCHEMBL31505426 0.90 DPP9 (0.80) DPP9DPP4PREPFAPDPP8
SCHEMBL24729425 0.89 DPP9 (0.79) DPP9DPP4PREPFAPDPP8
SCHEMBL24729026 0.89 DPP9 (0.81) DPP9DPP4PREPFAPDPP8
SCHEMBL27347166 0.89 DPP9 (0.81) DPP9DPP4PREPFAPDPP8
SCHEMBL22567635 0.88 DPP9 (0.78) DPP9DPP4PREPFAPDPP8

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-2021123013-A1 SMART DRUG DELIVERY SYSTEM AND PHARMACEUTICAL KIT FOR DUAL NUCLEAR MEDICAL CYTOTOXIC THERANOSTICS Johannes Gutenberg-Universität Mainz (DE) 2021-06-24 WO disclosed