SCHEMBL29531319

SCHEMBL29531319

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.57
▸ OPRM1 P35372 2/20 0.57
▸ MC4R P32245 5/20 0.56
▸ NPBWR1 P48145 2/20 0.53
▸ IL23R Q5VWK5 5/20 0.53
▸ KISS1R Q969F8 2/20 0.53
▸ CCKAR P32238 2/20 0.53
▸ CCKBR P32239 2/20 0.53
▸ PRMT1 Q99873 1/20 0.52

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
SCHEMBL30919247 0.96 OPRD1 (0.57) OPRD1OPRM1MC4RNPBWR1IL23R
SCHEMBL30464843 0.95 MC4R (0.55) OPRD1OPRM1MC4RKISS1R
SCHEMBL29480592 0.95 OPRD1 (0.57) OPRD1OPRM1MC4RNPBWR1IL23R
SCHEMBL29511016 0.91 OPRM1 (0.56) OPRD1OPRM1MC4RNPBWR1IL23R
SCHEMBL28295884 0.91 MC4R (0.55) OPRD1OPRM1MC4RKISS1R
SCHEMBL28295885 0.91 MC4R (0.55) OPRD1OPRM1MC4RKISS1R
SCHEMBL29832285 0.91 NPBWR1 (0.58) OPRD1OPRM1NPBWR1IL23RPRMT1
SCHEMBL29419491 0.91 NPBWR1 (0.58) OPRD1OPRM1NPBWR1IL23RPRMT1
SCHEMBL29784960 0.90 MC4R (0.52) OPRD1OPRM1MC4RKISS1RCCKAR
SCHEMBL30503003 0.90 OPRD1 (0.68) OPRD1OPRM1KISS1RCCKARCCKBR

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-114213516-B Active peptide derived from radix codonopsis pilosulae for promoting lactation and resisting breast tumor, and preparation method and application thereof 吉林国瑞医药有限公司 2023-07-25 — — CN disclosed
CN-114213516-A Codonopsis lanceolata-derived lactagogue and breast tumor-resistant active peptide, and preparation method and application thereof 吉林国瑞医药有限公司 2022-03-22 — — CN disclosed
Send feedback