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SCHEMBL31256786

SCHEMBL31256786

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.45
▸ OPRD1 P41143 2/20 0.45
▸ TFPI P10646 1/20 0.42
▸ IL23R Q5VWK5 2/20 0.42
▸ PTH1R Q03431 3/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ GRPR P30550 2/20 0.40

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
SCHEMBL10873455 0.84 OPRM1 (0.48) OPRM1OPRD1IL23ROPRK1
SCHEMBL10873463 0.84 OPRM1 (0.48) OPRM1OPRD1IL23ROPRK1
SCHEMBL30880875 0.83 BACE1 (0.45) PTH1R
SCHEMBL30880881 0.83 BACE1 (0.45) PTH1R
SCHEMBL29940169 0.83 TFPI (0.51) OPRM1OPRD1TFPIOPRK1
SCHEMBL30262162 0.83 BACE1 (0.48) TFPIRXFP1
SCHEMBL30974451 0.83 BACE1 (0.47) TFPI
SCHEMBL30567775 0.82 RXFP1 (0.55) PTH1RRXFP1
SCHEMBL30019401 0.82 OPRM1 (0.43) OPRM1OPRD1IL23ROPRK1GRPR
SCHEMBL31195722 0.81 OPRM1 (0.50) OPRM1OPRD1IL23ROPRK1

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-118949058-A HMGB1 targeted degradation small molecule HMGB1-PROTAC and derivatives and application thereof 清华大学深圳国际研究生院 2024-11-15 — — CN disclosed
CN-118930614-A HMGB1 antagonistic polypeptide and derivative and application thereof 清华大学深圳国际研究生院 2024-11-12 — — CN disclosed
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