SCHEMBL5050396

SCHEMBL5050396

CC(N)C(=O)N(c1ccccc1)C(C)C(=O)N[C@H](CCCCN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.44
LNPEP Q9UIQ6 4/20 0.44
ERAP1 Q9NZ08 3/20 0.44
MMP9 P14780 2/20 0.42
MMP2 P08253 1/20 0.42
CPB2 Q96IY4 2/20 0.42
CPB1 P15086 1/20 0.42
FOLH1 Q04609 1/20 0.40
TLR2 O60603 1/20 0.40
GNPAT O15228 1/20 0.40
ECE1 P42892 1/20 0.40
MME P08473 1/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40

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
SCHEMBL15135507 1.00 ERAP2 (0.44) ERAP2LNPEPERAP1MMP9MMP2
SCHEMBL28752252 0.92 LNPEP (0.46) ERAP2LNPEPERAP1MMP9MMP2
SCHEMBL1711305 0.91 ERAP2 (0.43) ERAP2LNPEPERAP1MMP9MMP2
SCHEMBL1711293 0.91 ERAP2 (0.43) ERAP2LNPEPERAP1MMP9MMP2
SCHEMBL5049005 0.91 ERAP2 (0.43) ERAP2LNPEPERAP1MMP9MMP2
SCHEMBL5055000 0.88 ERAP2 (0.45) ERAP2LNPEPERAP1MMP9MMP2
SCHEMBL5050215 0.88 ERAP2 (0.53) ERAP2LNPEPERAP1MMP2CPB2
SCHEMBL5053418 0.83 MMP1 (0.43) ERAP2LNPEPERAP1MMP9MMP2
SCHEMBL5050403 0.82 CPB1 (0.54) CPB2CPB1FOLH1TLR2ECE1
Benzophenone SCHEMBL28206142 0.80 ERAP2 (0.47) ERAP2LNPEPERAP1MMP9MMP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344478-B1 CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA BV (NL) 2017-09-27 EP claimed
EP-1994000-B1 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA BV (NL) 2017-08-23 EP claimed
EP-2560645-B1 CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS SYNTARGA BV (NL) 2016-07-13 EP claimed
EP-2173739-B1 SUBSTITUTED CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA BV (NL) 2013-07-31 EP claimed
EP-1370298-B1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS SYNTARGA BV (NL) 2008-10-08 EP claimed