SCHEMBL29407478

SCHEMBL29407478

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.44
▸ APLNR P35414 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NAA50 Q9GZZ1 1/20 0.41
▸ NTSR1 P30989 3/20 0.40
▸ CAPN1 P07384 2/20 0.40
▸ PSMB9 P28065 3/20 0.40
▸ OPRD1 P41143 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ NMUR2 Q9GZQ4 1/20 0.38
▸ NMUR1 Q9HB89 1/20 0.38
▸ NTSR2 O95665 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38

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
SCHEMBL30099417 0.94 REN (0.41) RENAPLNRKMT2ANAA50NTSR1
SCHEMBL30483724 0.93 REN (0.44) RENAPLNRKMT2ANAA50NTSR1
SCHEMBL30099452 0.92 KMT2A (0.40) RENAPLNRKMT2ANAA50NTSR1
SCHEMBL29945583 0.91 REN (0.42) RENAPLNRKMT2ANAA50NTSR1
SCHEMBL30430384 0.91 OPRM1 (0.45) RENAPLNRKMT2ANAA50NTSR1
SCHEMBL31622294 0.89 REN (0.44) RENAPLNRKMT2ANAA50NTSR1
SCHEMBL30099624 0.88 REN (0.42) RENAPLNRKMT2ANAA50NTSR1
SCHEMBL31751151 0.88 OPRM1 (0.44) RENAPLNRCAPN1PSMB9OPRD1
SCHEMBL31419720 0.87 APLNR (0.44) RENAPLNRKMT2ANAA50NTSR1
SCHEMBL29888963 0.87 MMP3 (0.44) RENAPLNRKMT2ANTSR1CAPN1

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-114106108-B Polypeptide-gold nanoparticle composite, preparation method and application thereof 中国石油大学(华东) 2023-07-14 — — CN disclosed
CN-114106108-A Polypeptide-gold nanoparticle compound, preparation method and application thereof 中国石油大学(华东) 2022-03-01 — — CN disclosed
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