SCHEMBL9450487

SCHEMBL9450487

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 8/20 0.47
▸ MALT1 Q9UDY8 1/20 0.46
▸ EPHA2 P29317 2/20 0.46
▸ ACE P12821 1/20 0.45
▸ CTRB1 P17538 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ OPRM1 P35372 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ NMUR1 Q9HB89 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ DPP7 Q9UHL4 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 0.90 DPP4 (0.52) MALT1EPHA2ACECTRB1OPRM1
SCHEMBL9618661 0.90 CMA1 (0.58) CMA1ACEF2
SCHEMBL9450497 0.87 DPP4 (0.47) CMA1MALT1EPHA2ACECTRB1
SCHEMBL11063150 0.85 CTRB1 (0.57) CTRB1
SCHEMBL11063141 0.85 CTRB1 (0.57) CTRB1
SCHEMBL29388202 0.85 PREP (0.51) ACECTRB1DPP4DPP8DPP9
SCHEMBL18621052 0.84 MALT1 (0.64) CMA1MALT1EPHA2
SCHEMBL18619572 0.84 MALT1 (0.64) CMA1MALT1EPHA2
SCHEMBL22209365 0.84 MALT1 (0.64) CMA1MALT1EPHA2
SCHEMBL22811073 0.84 MALT1 (0.64) CMA1MALT1EPHA2

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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