SCHEMBL9450497

SCHEMBL9450497

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.47
▸ DPP8 Q6V1X1 3/20 0.47
▸ REN P00797 1/20 0.47
▸ ACE P12821 2/20 0.46
▸ MALT1 Q9UDY8 1/20 0.46
▸ NMUR2 Q9GZQ4 2/20 0.44
▸ NMUR1 Q9HB89 2/20 0.44
▸ EPHA2 P29317 2/20 0.44
▸ DPP7 Q9UHL4 2/20 0.44
▸ DPP9 Q86TI2 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ TMPRSS11D O60235 1/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ F13A1 P00488 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ TGM1 P22735 1/20 0.42
▸ CTRB1 P17538 1/20 0.42

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 0.95 DPP4 (0.52) DPP4DPP8RENACEMALT1
SCHEMBL9450494 0.92 EPHA2 (0.48) RENMALT1NMUR2NMUR1EPHA2
SCHEMBL9450499 0.89 EPHA2 (0.50) DPP4DPP8RENMALT1NMUR2
SCHEMBL1370330 0.88 MAPK8 (0.51) RENMALT1NMUR2NMUR1EPHA2
SCHEMBL9450487 0.87 CMA1 (0.47) DPP4DPP8ACEMALT1NMUR2
SCHEMBL11063141 0.86 CTRB1 (0.57) CTRB1
SCHEMBL11063150 0.86 CTRB1 (0.57) CTRB1
SCHEMBL29388202 0.86 PREP (0.51) DPP4DPP8ACEDPP7DPP9
SCHEMBL18619636 0.85 MALT1 (0.55) DPP4DPP8RENACEMALT1
SCHEMBL7402728 0.83 ACE (0.55) DPP4DPP8RENACEDPP7

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-5212287-A Multistage synthesis of oligopeptides with protection of side groups then deprotection after reaction IMMUNETECH PHARMACEUTICALS, INC. (US) 1993-05-18 — — US disclosed
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