SCHEMBL11368299

SCHEMBL11368299

NCCCC[C@H](N)C(=O)NCC(=O)C(CC(=O)N1CCC[C@H]1C(=O)O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DPP4 P27487 2/20 0.41
▸ DPP8 Q6V1X1 2/20 0.41
▸ DPP9 Q86TI2 2/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ FAP Q12884 1/20 0.41
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38

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
SCHEMBL11368293 1.00 ACE (0.43) ACEMEN1TP53CYP1A2CYP2D6
SCHEMBL10396256 0.85 MEN1 (0.49) ACEMEN1TP53CYP1A2CYP2D6
SCHEMBL11404534 0.75 ACE (0.54) ACEDPP4FAP
SCHEMBL29374265 0.74 DPP7 (0.65) ACEDPP4DPP8DPP9DPP7
SCHEMBL2123083 0.74 DPP7 (0.65) ACEDPP4DPP8DPP9DPP7
SCHEMBL2123080 0.74 DPP7 (0.65) ACEDPP4DPP8DPP9DPP7
SCHEMBL2113409 0.74 DPP7 (0.65) ACEDPP4DPP8DPP9DPP7
SCHEMBL2113410 0.74 DPP7 (0.65) ACEDPP4DPP8DPP9DPP7
SCHEMBL27796855 0.74 DPP7 (0.65) ACEDPP4DPP8DPP9DPP7
SCHEMBL30558183 0.74 MEN1 (0.44) ACEMEN1TP53CYP1A2CYP2D6

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
EP-0021883-A2 N-acyl-amino acid derivatives and pharmaceutical compositions containing them, intermediates and starting compounds MERRELL TORAUDE ET COMPAGNIE (FR) 1981-01-07 — — EP disclosed
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