SCHEMBL31476331

SCHEMBL31476331

O=C(O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PREP P48147 3/20 0.38
▸ TERT O14746 1/20 0.36
▸ PRCP P42785 1/20 0.36
▸ CTRB1 P17538 1/20 0.35
▸ DPP4 P27487 2/20 0.34
▸ FAP Q12884 2/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ PSMB9 P28065 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL29408003 0.86 DPP4 (0.45) KMT2AMEN1CTRB1DPP4FAP
SCHEMBL30636612 0.85 MEN1 (0.59) KMT2AMEN1PREPPRCPITGB1
SCHEMBL30633419 0.85 PREP (0.40) KMT2AMEN1PREPTERTPRCP
SCHEMBL31158107 0.85 CHRM3 (0.40) DPP4DPP8DPP9
SCHEMBL29411133 0.84 ACE (0.40) —
SCHEMBL29816382 0.83 CHRM3 (0.38) PREPDPP4FAPDPP8DPP9
SCHEMBL30697841 0.83 CHRM3 (0.38) PREPDPP4FAPDPP8DPP9
SCHEMBL30697812 0.82 CHRM3 (0.37) PREPDPP4FAPPSMB9DPP8
SCHEMBL30697822 0.82 CHRM3 (0.37) PREPDPP4FAPPSMB9DPP8
SCHEMBL30697819 0.82 CHRM3 (0.37) PREPDPP4FAPPSMB9DPP8

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-2025054423-A1 CHIMERIC HPV-NG COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2025-03-13 — — WO disclosed
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