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SCHEMBL30525288

SCHEMBL30525288

NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(N)=O)NC1=O

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 3/20 0.89
▸ AVPR2 P30518 2/20 0.89
▸ OXTR P30559 2/20 0.89
▸ AVPR1B P47901 2/20 0.89
▸ PTGS1 P23219 1/20 0.78

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
SCHEMBL29934390 1.00 AVPR1A (0.89) AVPR1AAVPR2OXTRAVPR1BPTGS1
SCHEMBL29367334 1.00 AVPR1A (0.89) AVPR1AAVPR2OXTRAVPR1BPTGS1
Vasopressin SCHEMBL18937546 0.94 AVPR1A (1.00) AVPR1AAVPR2OXTRAVPR1BPTGS1
Vasopressin SCHEMBL29688276 0.94 AVPR1A (1.00) AVPR1AAVPR2OXTRAVPR1BPTGS1
Vasopressin SCHEMBL19712236 0.94 AVPR1A (1.00) AVPR1AAVPR2OXTRAVPR1BPTGS1
Vasopressin SCHEMBL17874853 0.94 AVPR1A (1.00) AVPR1AAVPR2OXTRAVPR1BPTGS1
Vasopressin SCHEMBL29530914 0.93 AVPR1A (0.97) AVPR1AAVPR2OXTRAVPR1BPTGS1
SCHEMBL23879427 0.92 AVPR1A (0.96) AVPR1AAVPR2OXTRAVPR1BPTGS1
SCHEMBL18476287 0.92 AVPR1A (0.96) AVPR1AAVPR2OXTRAVPR1BPTGS1
SCHEMBL29786906 0.92 AVPR1A (0.74) AVPR1AAVPR2OXTRAVPR1BPTGS1

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-116710138-A Peptide crosslinking agent and crosslinked peptide crosslinked by the same 国立大学法人鹿儿岛大学 2023-09-05 — — CN disclosed
CN-116670148-A Extremely fast solid phase synthesis 耶路撒冷希伯来大学伊森姆研究发展有限公司 2023-08-29 — — CN disclosed
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