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Sugi Predict / Compounds / SCHEMBL31061295

SCHEMBL31061295

SCHEMBL31061295

CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 5/20 0.87
▸ AVPR1B P47901 4/20 0.87
▸ OXTR P30559 3/20 0.87
▸ AVPR1A P37288 3/20 0.87
▸ PTGS1 P23219 1/20 0.87

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
Desmopressin SCHEMBL22511 0.93 OXTR (1.00) AVPR2AVPR1BOXTRAVPR1APTGS1
Desmopressin SCHEMBL29454824 0.93 OXTR (1.00) AVPR2AVPR1BOXTRAVPR1APTGS1
Desmopressin SCHEMBL29387302 0.93 OXTR (1.00) AVPR2AVPR1BOXTRAVPR1APTGS1
Desmopressin SCHEMBL29935850 0.93 OXTR (0.97) AVPR2AVPR1BOXTRAVPR1APTGS1
Desmopressin SCHEMBL1172203 0.93 OXTR (0.97) AVPR2AVPR1BOXTRAVPR1APTGS1
Desmopressin SCHEMBL1171610 0.92 OXTR (0.96) AVPR2AVPR1BOXTRAVPR1APTGS1
SCHEMBL31477683 0.92 AVPR1A (0.86) AVPR2AVPR1BOXTRAVPR1APTGS1
SCHEMBL31070919 0.92 OXTR (0.74) AVPR2AVPR1BOXTRAVPR1APTGS1
SCHEMBL29618038 0.91 OXTR (0.86) AVPR2AVPR1BOXTRAVPR1APTGS1
Desmopressin SCHEMBL28867243 0.89 OXTR (0.82) AVPR2AVPR1BOXTRAVPR1APTGS1

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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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