SCHEMBL8006925

SCHEMBL8006925

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.49
FOLH1 Q04609 5/20 0.49
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
NPY4R P50391 1/20 0.43
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
ALDH1A1 P00352 1/20 0.42
FURIN P09958 1/20 0.42
PCSK6 P29122 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
SLC15A2 Q16348 1/20 0.42

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
SCHEMBL1711292 0.89 CPB2 (0.49) CPB2FOLH1ERAP2ERAP1LNPEP
SCHEMBL1711525 0.89 CPB2 (0.49) CPB2FOLH1ERAP2ERAP1LNPEP
SCHEMBL30512557 0.89 CPB2 (0.49) CPB2FOLH1ERAP2ERAP1LNPEP
SCHEMBL1711530 0.89 CPB2 (0.49) CPB2FOLH1ERAP2ERAP1LNPEP
SCHEMBL7205366 0.89 ALDH1A1 (0.58) CPB2FOLH1ERAP2ERAP1LNPEP
SCHEMBL30444043 0.89 ALDH1A1 (0.58) CPB2FOLH1ERAP2ERAP1LNPEP
SCHEMBL1711286 0.89 CPB2 (0.49) CPB2FOLH1ERAP2ERAP1LNPEP
SCHEMBL29904373 0.87 SLC15A2 (0.55) CPB2FOLH1ERAP2ERAP1LNPEP
SCHEMBL29714947 0.87 ERAP2 (0.55) CPB2FOLH1ERAP2ERAP1LNPEP
SCHEMBL31343172 0.87 NPY4R (0.52) CPB2FOLH1ERAP2ERAP1LNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003774-A1 GnRH ANTAGONISTS BEING MODIFIED IN POSITIONS 5 AND 6 FERRING B.V. (NL) 2000-05-31 EP disclosed
EP-0973801-A1 GnRH ANTAGONISTS FERRING B.V. (NL) 2000-01-26 EP disclosed
WO-1998046634-A1 GnRH ANTAGONISTS BEING MODIFIED IN POSITIONS 5 AND 6 FERRING B.V. (NL) 1998-10-22 WO disclosed
WO-1998046635-A1 GnRH ANTAGONISTS FERRING BV (NL) 1998-10-22 WO disclosed