SCHEMBL29620375

SCHEMBL29620375

CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 1/20 0.55
▸ CCKBR P32239 1/20 0.55
▸ PRMT1 Q99873 1/20 0.53
▸ CTSC P53634 2/20 0.53
▸ OPRM1 P35372 2/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ NPBWR1 P48145 9/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GHSR Q92847 2/20 0.48

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
SCHEMBL30051547 0.90 CTSC (0.60) CCKARCCKBRPRMT1CTSCOPRM1
SCHEMBL31541502 0.89 OPRM1 (0.55) PRMT1OPRM1OPRD1MEN1KMT2A
SCHEMBL31433302 0.88 PRMT1 (0.57) PRMT1OPRM1OPRD1NPBWR1MEN1
SCHEMBL31433307 0.88 NPBWR1 (0.58) PRMT1NPBWR1
SCHEMBL29616865 0.87 OPRD1 (0.64) CCKARCCKBROPRM1OPRD1GHSR
SCHEMBL30051770 0.87 CTSC (0.65) CCKARCCKBRCTSCMEN1KMT2A
SCHEMBL2545492 0.87 CTSC (0.67) CTSCMEN1KMT2A
SCHEMBL28334124 0.87 CTSC (0.67) CTSCMEN1KMT2A
SCHEMBL9447263 0.87 CTSC (0.67) CTSCMEN1KMT2A
SCHEMBL29961801 0.86 PRMT1 (0.58) CCKARCCKBRPRMT1OPRM1OPRD1

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-114984038-A Selenium-containing composition and its use for treating and preventing diseases or disorders associated with mitochondrial dysfunction 全技术公司 2022-09-02 — — CN disclosed
CN-114533753-A Selenium-containing composition and application thereof in treating and preventing diseases or symptoms related to mitochondrial dysfunction 全技术公司 2022-05-27 — — CN disclosed
Send feedback