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Sugi Predict / Compounds / SCHEMBL30037697

SCHEMBL30037697

SCHEMBL30037697

CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 18/20 0.77
▸ CCKAR P32238 6/20 0.77
▸ OPRD1 P41143 1/20 0.67

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
SCHEMBL29408699 0.96 CCKBR (0.83) CCKBRCCKAR
SCHEMBL29367037 0.96 CCKBR (0.83) CCKBRCCKAR
SCHEMBL29408692 0.96 CCKBR (0.74) CCKBRCCKAROPRD1
SCHEMBL21586577 0.92 CCKBR (0.76) CCKBRCCKAR
SCHEMBL21586576 0.92 CCKBR (0.76) CCKBRCCKAR
SCHEMBL29516510 0.92 CCKBR (0.75) CCKBRCCKAROPRD1
SCHEMBL29367557 0.92 CCKBR (0.75) CCKBRCCKAROPRD1
SCHEMBL29833626 0.91 CCKBR (0.76) CCKBRCCKAR
SCHEMBL29367056 0.91 CCKBR (0.73) CCKBRCCKAROPRD1
SCHEMBL29370482 0.90 CCKBR (0.76) CCKBRCCKAROPRD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4329827-A1 TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE Alphathera AG (CH) 2024-03-06 — — EP claimed
WO-2022231424-A1 TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE ALPHATHERA AG (CH) 2022-11-03 — — WO claimed
EP-4329827-A1 TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE Alphathera AG (CH) 2024-03-06 — — EP disclosed
WO-2022231424-A1 TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE ALPHATHERA AG (CH) 2022-11-03 — — WO disclosed