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SCHEMBL10074286

SCHEMBL10074286

COc1ccc(COC[C@@H](NC(=O)C(C)(C)C)[C@H](OCc2ccc(OC)cc2)C(=O)NCC(C)(C)CNC(=O)CC(Cc2cc(F)ccc2F)NC(=O)C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.33
▸ REN P00797 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ DPP4 P27487 4/20 0.32
▸ MMEL1 Q495T6 1/20 0.31
▸ KCNH2 Q12809 3/20 0.31
▸ FAP Q12884 3/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ FFAR1 O14842 1/20 0.30
▸ ENPP2 Q13822 1/20 0.30

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
SCHEMBL10078388 1.00 CTSD (0.33) CTSDRENKMT2AMEN1DPP4
SCHEMBL10074733 1.00 CTSD (0.33) CTSDRENKMT2AMEN1DPP4
SCHEMBL10074725 0.85 CTSS (0.35) CTSDRENDPP4
SCHEMBL10074317 0.84 CTSS (0.35) CTSDRENDPP4
SCHEMBL10078386 0.84 CTSS (0.35) CTSDRENDPP4
SCHEMBL10074284 0.84 CTSS (0.35) CTSDRENDPP4
SCHEMBL10075282 0.83 CACNA1B (0.36) CTSDREN
SCHEMBL10077515 0.83 CACNA1B (0.36) CTSDREN
SCHEMBL10077081 0.82 DPP4 (0.39) RENDPP4KCNH2FAPPREP
SCHEMBL10074143 0.81 CACNA1B (0.36) CTSDREN

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
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 — — EP disclosed