SCHEMBL25636549

SCHEMBL25636549

NC(=O)C(NC(=O)CNC(=O)[C@@H]1CC(=O)CN1C(=O)CNC(=O)[C@H](CCC(=O)C(=O)NC1CC1)NC(=O)c1ccncc1C(=O)O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 19/20 0.54
▸ TGM2 P21980 19/20 0.54
▸ TGM6 O95932 1/20 0.51
▸ F13B P05160 1/20 0.51
▸ TGM1 P22735 1/20 0.51
▸ TGM3 Q08188 1/20 0.51
▸ FAP Q12884 1/20 0.31

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
SCHEMBL20353406 1.00 F13A1 (0.54) F13A1TGM2TGM6F13BTGM1
SCHEMBL20353378 0.94 F13A1 (0.57) F13A1TGM2TGM6F13BTGM1
SCHEMBL25636587 0.94 F13A1 (0.57) F13A1TGM2TGM6F13BTGM1
SCHEMBL20353317 0.93 F13A1 (0.55) F13A1TGM2TGM6F13BTGM1
SCHEMBL25636581 0.93 F13A1 (0.57) F13A1TGM2TGM6F13BTGM1
SCHEMBL25636567 0.92 F13A1 (0.52) F13A1TGM2TGM6F13BTGM1
SCHEMBL20353314 0.91 F13A1 (0.53) F13A1TGM2TGM6F13BTGM1
SCHEMBL25636607 0.88 F13A1 (0.49) F13A1TGM2TGM6F13BTGM1
SCHEMBL25636530 0.84 F13A1 (0.60) F13A1TGM2TGM6F13BTGM1
SCHEMBL25636493 0.84 F13A1 (0.67) F13A1TGM2TGM6F13BTGM1

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-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 — — EP disclosed
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