SCHEMBL29777564

SCHEMBL29777564

NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.59
▸ KMT2A Q03164 2/20 0.48
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MDM2 Q00987 4/20 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
SCHEMBL19423740 0.97 TLR2 (0.62) TLR2KMT2AMDM4TP53MDM2
SCHEMBL17669893 0.90 KMT2A (0.56) TLR2KMT2AMDM4TP53
SCHEMBL17669892 0.90 KMT2A (0.56) TLR2KMT2AMDM4TP53
SCHEMBL30180840 0.89 TLR2 (0.62) TLR2KMT2AMDM4TP53MDM2
SCHEMBL3049117 0.87 KMT2A (0.49) TLR2KMT2AMDM4TP53
SCHEMBL17669885 0.85 TLR2 (0.49) TLR2MDM2
SCHEMBL17669884 0.85 TLR2 (0.49) TLR2MDM2
SCHEMBL31317450 0.85 MDM2 (0.57) TLR2KMT2AMDM4TP53MDM2
SCHEMBL29460051 0.85 MDM2 (0.57) TLR2KMT2AMDM4TP53MDM2
SCHEMBL21315799 0.85 MDM2 (0.57) TLR2KMT2AMDM4TP53MDM2

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-115038711-A Synthetic method of atosiban 湖北健翔生物制药有限公司 2022-09-09 — — CN disclosed
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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