SCHEMBL29706123

SCHEMBL29706123

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nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.44
▸ OPRD1 P41143 4/20 0.44
▸ PDCD1LG2 Q9BQ51 2/20 0.40
▸ CD274 Q9NZQ7 2/20 0.40
▸ NMT2 O60551 2/20 0.39
▸ NMT1 P30419 2/20 0.39
▸ OPRK1 P41145 1/20 0.36
▸ MME P08473 2/20 0.35
▸ QRFPR Q96P65 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ GSTK1 Q9Y2Q3 1/20 0.33
▸ VSIR Q9H7M9 1/20 0.32

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
SCHEMBL38663399 1.00 OPRM1 (0.44) OPRM1OPRD1PDCD1LG2CD274NMT2
SCHEMBL30593912 0.95 OPRM1 (0.43) OPRM1OPRD1PDCD1LG2CD274NMT2
SCHEMBL29478036 0.88 NMT1 (0.43) OPRM1OPRD1NMT2NMT1QRFPR
SCHEMBL29694604 0.87 PDCD1LG2 (0.44) OPRM1OPRD1PDCD1LG2CD274NMT2
SCHEMBL30019123 0.85 NMT2 (0.38) OPRM1OPRD1NMT2NMT1OPRK1
SCHEMBL29876444 0.84 MME (0.39) OPRM1OPRD1PDCD1LG2CD274OPRK1
SCHEMBL29473532 0.84 MME (0.39) OPRM1OPRD1PDCD1LG2CD274OPRK1
SCHEMBL31121552 0.84 MME (0.39) OPRM1OPRD1PDCD1LG2CD274OPRK1
SCHEMBL29866316 0.84 TGFBR1 (0.44) OPRM1OPRD1NMT2NMT1MME
SCHEMBL29541562 0.84 TGFBR1 (0.44) OPRM1OPRD1NMT2NMT1MME

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
CN-114573686-A Polypeptide containing disulfide bond and having serine protease activity inhibition function and application thereof 中国医学科学院药物研究所 2022-06-03 — — CN disclosed
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