SCHEMBL7424734

SCHEMBL7424734

CC(C)[C@H](N)C(=O)N(C(=O)CCc1ccc(O)cc1)[C@@H](CCCCN)C(=O)NC(CC(=O)O)C(=O)C=[N+]=[N-]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 3/20 0.36
ERAP1 Q9NZ08 1/20 0.36
CTSB P07858 1/20 0.36
F2 P00734 9/20 0.35
PLG P00747 5/20 0.35
PLAT P00750 5/20 0.35
PRSS1 P07477 4/20 0.35
F10 P00742 3/20 0.33
LNPEP Q9UIQ6 1/20 0.32
GRIA1 P42261 1/20 0.32
ENPEP Q07075 1/20 0.32
IL1RN P18510 1/20 0.31
MMP8 P22894 1/20 0.31
CHRND Q07001 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
SCHEMBL7423470 0.94 F2 (0.41) ERAP2ERAP1F2PLGPLAT
SCHEMBL7416641 0.87 CASP1 (0.34) ERAP2ERAP1LNPEPIL1RNMMP8
SCHEMBL7286570 0.84 CASP1 (0.40) ERAP2ERAP1CTSBF2PLG
SCHEMBL7417508 0.84 CASP1 (0.35) ERAP2ERAP1LNPEP
SCHEMBL7304440 0.82 F2 (0.38) ERAP2ERAP1CTSBF2PLG
SCHEMBL7414938 0.81 KMT2A (0.35) MMP8
SCHEMBL7283411 0.78 CASP1 (0.47) F2PLGPLATPRSS1F10
SCHEMBL7304203 0.75 CTSC (0.45) F2PLGPLATPRSS1F10
SCHEMBL7275336 0.72 CASP1 (0.41) CTSB
SCHEMBL7284655 0.70 CASP1 (0.44)

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
WO-1993014777-A1 PEPTIDYL DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME MERCK & CO., INC. (US) 1993-08-05 WO disclosed