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SCHEMBL23030719

SCHEMBL23030719

Cc1ccc(C(NCCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N[C@@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N2CCC[C@H]2C(=O)OCC(=O)N[C@H](C(N)=O)C(C)C)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.37
▸ PTPN1 P18031 6/20 0.36
▸ CD4 P01730 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ TLR2 O60603 2/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ ACE P12821 1/20 0.33
▸ REN P00797 1/20 0.33
▸ GRB2 P62993 1/20 0.33

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
SCHEMBL24817624 1.00 PRCP (0.37) PRCPPTPN1CD4MDM2TLR2
SCHEMBL24817625 1.00 PRCP (0.37) PRCPPTPN1CD4MDM2TLR2
SCHEMBL29757443 1.00 PRCP (0.37) PRCPPTPN1CD4MDM2TLR2
SCHEMBL28714444 0.88 PTPN1 (0.36) PRCPPTPN1CD4MDM2TLR2
SCHEMBL23014548 0.88 PRCP (0.42) PRCPPTPN1MDM2TLR2ACE
SCHEMBL23014549 0.88 PRCP (0.42) PRCPPTPN1MDM2TLR2ACE
SCHEMBL23014551 0.80 MDM2 (0.48) PTPN1MDM2TLR2
SCHEMBL29757411 0.80 MDM2 (0.48) PTPN1MDM2TLR2
SCHEMBL23014552 0.80 MDM2 (0.48) PTPN1MDM2TLR2
SCHEMBL30962356 0.75 PRCP (0.46) PRCPMDM2ACE

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-114269775-A Preparation method of incretin analogue 伊莱利利公司 2022-04-01 — — CN disclosed
WO-2021034815-A1 METHODS OF MAKING INCRETIN ANALOGS ELI LILLY AND COMPANY (US) 2021-02-25 — — WO disclosed
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