SCHEMBL29384656

SCHEMBL29384656

CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 9/20 0.62
IL1RN P18510 6/20 0.62
ERAP1 Q9NZ08 6/20 0.57
ECE1 P42892 5/20 0.55
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
ANPEP P15144 1/20 0.53
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
LNPEP Q9UIQ6 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
NPY4R P50391 1/20 0.51
GHSR Q92847 1/20 0.51

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
SCHEMBL29657706 0.95 ERAP2 (0.63) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL30436333 0.94 ECE1 (0.61) ERAP2IL1RNERAP1ECE1ANPEP
SCHEMBL30166489 0.94 ECE1 (0.61) ERAP2IL1RNERAP1ECE1ANPEP
SCHEMBL29577523 0.93 ERAP1 (0.56) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL29577107 0.93 ERAP1 (0.56) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL30797170 0.92 OPRM1 (0.57) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL7048052 0.92 ERAP1 (0.57) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL7936370 0.92 ERAP1 (0.57) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL7048050 0.92 ERAP1 (0.57) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL30414279 0.91 OPRM1 (0.58) ERAP2IL1RNERAP1OPRM1OPRD1

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
CN-110627896-B Calcium chelating peptide and preparation method and application thereof 华南农业大学 2022-02-18 CN disclosed