SCHEMBL30430384

SCHEMBL30430384

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.45
▸ OPRD1 P41143 4/20 0.45
▸ CAPN1 P07384 4/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ REN P00797 1/20 0.42
▸ CTSB P07858 1/20 0.41
▸ NAA50 Q9GZZ1 1/20 0.41
▸ NMUR2 Q9GZQ4 3/20 0.40
▸ NMUR1 Q9HB89 3/20 0.40
▸ NTSR1 P30989 2/20 0.40
▸ NTSR2 O95665 1/20 0.39
▸ APLNR P35414 1/20 0.39

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
SCHEMBL29407478 0.91 REN (0.44) OPRM1OPRD1CAPN1KMT2AREN
SCHEMBL31622294 0.89 REN (0.44) OPRD1CAPN1KMT2ARENCTSB
SCHEMBL30918796 0.89 OPRM1 (0.45) OPRM1OPRD1CAPN1RENNMUR2
SCHEMBL30211911 0.88 OPRM1 (0.46) OPRM1OPRD1CAPN1CTSBAPLNR
SCHEMBL29945583 0.88 REN (0.42) OPRM1OPRD1CAPN1KMT2AREN
SCHEMBL29699495 0.87 KMT2A (0.43) CAPN1KMT2ARENCTSBNAA50
SCHEMBL30483724 0.87 REN (0.44) OPRD1CAPN1KMT2ARENNAA50
SCHEMBL31670636 0.86 XIAP (0.50) OPRD1KMT2ARENNTSR1NTSR2
SCHEMBL29473879 0.86 CAPN1 (0.51) CAPN1KMT2ARENCTSBNTSR1
SCHEMBL30099624 0.86 REN (0.42) OPRD1CAPN1KMT2ARENNAA50

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135684-B1 VACCINE AGAINST STREPTOCOCCAL INFECTIONS BASED ON RECOMBINANT FUSION PROTEINS INTERVACC AB (SE) 2023-06-28 — — EP disclosed
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