SCHEMBL30111298

SCHEMBL30111298

NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.48
▸ OPRM1 P35372 5/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ENPEP Q07075 3/20 0.46
▸ ACE P12821 1/20 0.46
▸ PTPN2 P17706 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ CHRNA1 P02708 1/20 0.45
▸ CHRNG P07510 1/20 0.45
▸ CHRNB1 P11230 1/20 0.45
▸ CHRND Q07001 1/20 0.45
▸ QRFPR Q96P65 2/20 0.45
▸ MME P08473 1/20 0.44

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
SCHEMBL29590412 0.94 QRFPR (0.45) OPRD1OPRM1OPRK1ENPEPQRFPR
SCHEMBL31198202 0.92 MEN1 (0.52) MEN1KMT2AENPEPACEPTPN2
SCHEMBL29630551 0.89 NAALAD2 (0.50) OPRD1OPRM1OPRK1ENPEPCHRNA1
SCHEMBL29591605 0.88 OPRD1 (0.51) OPRD1OPRM1OPRK1QRFPR
SCHEMBL9332741 0.87 ACE (0.54) OPRD1OPRM1OPRK1ACECHRNA1
SCHEMBL9332730 0.87 ACE (0.54) OPRD1OPRM1OPRK1ACECHRNA1
SCHEMBL29630682 0.86 CTSB (0.51) OPRD1OPRM1OPRK1ACEQRFPR
SCHEMBL29993603 0.86 ACE (0.53) OPRD1OPRM1OPRK1ACECHRNA1
SCHEMBL29591506 0.86 NAALAD2 (0.48) MEN1KMT2AENPEPACEPTPN2
SCHEMBL30407351 0.86 OPRD1 (0.63) OPRD1OPRM1OPRK1

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
WO-2023282355-A1 FISH REARING COMPOSITION, AND COMPOSITION FOR TREATING OR PREVENTING FISH DISEASES 住友化学株式会社 2023-01-12 — — WO disclosed
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