SCHEMBL29637436

SCHEMBL29637436

CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.60
ACE P12821 2/20 0.55
REN P00797 2/20 0.53
CMA1 P23946 3/20 0.53
OPRM1 P35372 2/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53

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
SCHEMBL29489418 0.92 SLC6A2 (0.65) SLC6A2RENOPRM1OPRD1OPRK1
SCHEMBL29710134 0.92 SLC6A2 (0.59) SLC6A2ACERENCMA1OPRM1
SCHEMBL30271249 0.91 SLC6A2 (0.60) SLC6A2ACECMA1OPRM1OPRD1
SCHEMBL15231343 0.91 SLC6A2 (0.59) SLC6A2ACECMA1OPRM1OPRD1
SCHEMBL15231898 0.91 SLC6A2 (0.59) SLC6A2ACECMA1OPRM1OPRD1
SCHEMBL15231906 0.91 SLC6A2 (0.59) SLC6A2ACECMA1OPRM1OPRD1
SCHEMBL23094048 0.89 ACE (0.56) SLC6A2ACEOPRM1OPRD1OPRK1
SCHEMBL30616201 0.89 DPP3 (0.58) SLC6A2ACERENCMA1OPRM1
SCHEMBL30586507 0.89 SLC6A2 (0.57) SLC6A2RENCMA1OPRM1OPRD1
SCHEMBL31377445 0.88 SLC6A2 (0.60) SLC6A2RENOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574154-A Cyclic peptide-lenalidomide PROTAC derivative, preparation method thereof and application thereof in anticancer drugs 哈尔滨师范大学 2023-08-11 CN disclosed
CN-113698454-B Walnut meal acetylcholine esterase inhibitory peptide as well as preparation method and application thereof 北京林业大学 2022-05-24 CN disclosed
CN-113698454-B Walnut meal acetylcholine esterase inhibitory peptide as well as preparation method and application thereof 北京林业大学 2022-05-24 CN disclosed