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SCHEMBL30839205

SCHEMBL30839205

CC(C)C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 1/20 0.64
▸ PTGS1 P23219 1/20 0.63
▸ C5AR1 P21730 2/20 0.62
▸ ABCC2 Q92887 1/20 0.62
▸ APLNR P35414 2/20 0.58
▸ CXCR4 P61073 2/20 0.58

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
SCHEMBL31135225 0.97 C5AR1 (0.64) GNRHRPTGS1C5AR1ABCC2APLNR
SCHEMBL30198868 0.96 GNRHR (0.66) GNRHRPTGS1C5AR1ABCC2APLNR
SCHEMBL29425250 0.95 GNRHR (0.70) GNRHRPTGS1C5AR1ABCC2APLNR
SCHEMBL30839204 0.95 GNRHR (0.64) GNRHRPTGS1C5AR1ABCC2APLNR
SCHEMBL29425251 0.95 GNRHR (0.64) GNRHRPTGS1C5AR1ABCC2APLNR
SCHEMBL6512254 0.95 PTGS1 (0.71) GNRHRPTGS1C5AR1ABCC2APLNR
SCHEMBL30773556 0.95 PTGS1 (0.71) GNRHRPTGS1C5AR1ABCC2APLNR
Leuprolide SCHEMBL25418953 0.93 GNRHR (0.74) GNRHRPTGS1C5AR1ABCC2APLNR
Leuprolide SCHEMBL172917 0.93 GNRHR (0.74) GNRHRPTGS1C5AR1ABCC2APLNR
Leuprolide SCHEMBL14190828 0.93 GNRHR (0.74) GNRHRPTGS1C5AR1ABCC2APLNR

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
WO-2024210903-A1 MODIFIED PEPTIDE LIGANDS FOR STABLE DELIVERY OF HIGHLY POTENT PAYLOADS TO TUMORS: METHOD OF MAKING AND USING SAME LAMHARZI NAJIB (US) 2024-10-10 — — WO disclosed
US-20240082409-A1 Modified peptide ligands for stable delivery of highly potent payloads to tumors: Method of making and using same LAMHARZI NAJIB (US) 2024-03-14 — — US disclosed
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