SCHEMBL29777562

SCHEMBL29777562

NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.46
▸ FDFT1 P37268 2/20 0.43
▸ MDM2 Q00987 6/20 0.43
▸ ACE P12821 1/20 0.42
▸ MDM4 O15151 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ TLR2 O60603 4/20 0.40
▸ F2 P00734 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
SCHEMBL29777558 0.94 PRCP (0.42) PRCPFDFT1MDM2ACEMDM4
SCHEMBL29812564 0.91 PRCP (0.43) PRCPFDFT1MDM2MDM4TP53
SCHEMBL17450537 0.88 PRCP (0.43) PRCPFDFT1MDM2ACEMDM4
SCHEMBL30962356 0.86 PRCP (0.46) PRCPFDFT1MDM2ACEMDM4
SCHEMBL31500760 0.85 PRCP (0.51) PRCPFDFT1MDM2ACEMDM4
SCHEMBL29750784 0.83 ACE (0.45) PRCPFDFT1MDM2ACETLR2
SCHEMBL29777663 0.83 PRCP (0.48) PRCPFDFT1MDM2ACEDPP4
SCHEMBL29777648 0.81 ACE (0.49) PRCPFDFT1MDM2ACEDPP4
SCHEMBL29777557 0.80 F2 (0.48) ACEF2
SCHEMBL31297113 0.79 F2 (0.47) PRCPFDFT1MDM2ACETLR2

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-2022141615-A1 SYNTHESIS METHOD FOR ATOSIBAN 湖北健翔生物制药有限公司 2022-07-07 — — WO disclosed
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