SCHEMBL30503000

SCHEMBL30503000

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.63
OPRD1 P41143 3/20 0.63
ERAP2 Q6P179 3/20 0.58
IL1RN P18510 3/20 0.58
ERAP1 Q9NZ08 1/20 0.58
KISS1R Q969F8 10/20 0.56
TP53 P04637 1/20 0.55
MDM2 Q00987 1/20 0.55
OPRK1 P41145 1/20 0.55
ECE1 P42892 2/20 0.54

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
SCHEMBL30502993 0.92 CCKBR (0.58) OPRM1OPRD1ERAP2IL1RNERAP1
SCHEMBL30307614 0.91 OPRD1 (0.73) OPRM1OPRD1ERAP2IL1RNERAP1
SCHEMBL31462016 0.91 KISS1R (0.60) KISS1R
SCHEMBL31340088 0.90 OPRD1 (0.71) OPRM1OPRD1ERAP2IL1RNERAP1
SCHEMBL30503009 0.90 OPRD1 (0.57) OPRM1OPRD1ERAP2IL1RNERAP1
SCHEMBL30544342 0.88 ERAP2 (0.61) OPRM1OPRD1ERAP2IL1RNERAP1
SCHEMBL30051680 0.88 ECE1 (0.66) OPRM1OPRD1ERAP2IL1RNERAP1
SCHEMBL30051500 0.88 OPRM1 (0.61) OPRM1OPRD1ERAP2IL1RNERAP1
SCHEMBL31206276 0.88 NPBWR1 (0.58) OPRM1OPRD1KISS1R
SCHEMBL31256945 0.87 OPRD1 (0.71) OPRM1OPRD1ERAP2ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116333046-A Octapeptide, cyclic octapeptide and derivatives, preparation method and application thereof in preparation of antitumor drugs 中国人民解放军海军军医大学 2023-06-27 CN disclosed
CN-116333046-A Octapeptide, cyclic octapeptide and derivatives, preparation method and application thereof in preparation of antitumor drugs 中国人民解放军海军军医大学 2023-06-27 CN disclosed