SCHEMBL8417704

SCHEMBL8417704

N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 3/20 0.51
▸ DPP4 P27487 2/20 0.49
▸ DPP8 Q6V1X1 2/20 0.49
▸ HTRA1 Q92743 11/20 0.49
▸ F10 P00742 2/20 0.45
▸ PLG P00747 2/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ DPP7 Q9UHL4 1/20 0.45
▸ NMUR2 Q9GZQ4 2/20 0.45
▸ NMUR1 Q9HB89 2/20 0.45
▸ TMPRSS11D O60235 1/20 0.43
▸ F2 P00734 1/20 0.43

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
SCHEMBL29872221 0.85 DPP4 (0.52) TGM2DPP4DPP8DPP7NMUR2
SCHEMBL17439162 0.82 OPRM1 (0.49) NMUR2NMUR1F2
SCHEMBL9450497 0.80 DPP4 (0.47) TGM2DPP4DPP8DPP7NMUR2
SCHEMBL7402735 0.80 ACE (0.55) DPP4DPP8PRSS1DPP7TMPRSS11D
SCHEMBL7402728 0.80 ACE (0.55) DPP4DPP8PRSS1DPP7TMPRSS11D
SCHEMBL18619636 0.79 MALT1 (0.55) DPP4DPP8PRSS1F2
SCHEMBL27543280 0.78 DPP4 (0.45) DPP4DPP8F10PLGPRSS1
SCHEMBL7982004 0.78 PREP (0.49) HTRA1
SCHEMBL5264694 0.78 PREP (0.55) —
SCHEMBL13409461 0.78 DPP4 (0.46) TGM2DPP4DPP8F10PLG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791071-B1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS INC (US) 1999-09-15 — — EP disclosed
EP-0791071-A1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1997-08-27 — — EP disclosed
US-5571684-A SOLID PHASE CONJUGATE LITMUS CONCEPTS, INC. (US) 1996-11-05 — — US disclosed
WO-1996015255-A2 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1996-05-23 — — WO disclosed
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