SCHEMBL11079609

SCHEMBL11079609

N=C(N)NCCC[C@@H]([C]=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 4/20 0.51
▸ DPP4 P27487 2/20 0.47
▸ DPP8 Q6V1X1 1/20 0.47
▸ DPP9 Q86TI2 1/20 0.47
▸ DPP7 Q9UHL4 1/20 0.47
▸ ACE P12821 1/20 0.44
▸ CTRB1 P17538 1/20 0.44
▸ FAP Q12884 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ PRCP P42785 1/20 0.42
▸ F2 P00734 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ F10 P00742 3/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ PLG P00747 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL11430260 0.94 DPP4 (0.49) PREPDPP4DPP8DPP9DPP7
SCHEMBL11009027 0.90 CTRB1 (0.55) PREPCTRB1KMT2APRCPCYP3A4
SCHEMBL29388202 0.89 PREP (0.51) PREPDPP4DPP8DPP9DPP7
SCHEMBL27543280 0.87 DPP4 (0.45) PREPDPP4DPP8DPP9DPP7
SCHEMBL22209369 0.86 MALT1 (0.50) PREPDPP4DPP8DPP9DPP7
SCHEMBL27559428 0.86 PREP (0.44) PREPDPP4DPP8DPP9DPP7
SCHEMBL18873440 0.83 PREP (0.45) PREPDPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL18831927 0.82 PREP (0.44) PREPDPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL18831929 0.82 PREP (0.44) PREPDPP4DPP8DPP9DPP7
SCHEMBL2192304 0.81 OPRM1 (0.49) DPP4DPP8DPP9DPP7FAP

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
US-4463090-A PROENZYMES COUPLED TO LIGANDS; ACTIVATION; SENSITIVITY RAPIDEX LIMITED 1984-07-31 — — US disclosed
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