SCHEMBL31583750

SCHEMBL31583750

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.46
▸ NMUR2 Q9GZQ4 4/20 0.45
▸ NMUR1 Q9HB89 4/20 0.45
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ CTSD P07339 1/20 0.43
▸ F2 P00734 1/20 0.43

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
SCHEMBL30676223 0.93 REN (0.47) RENF2
SCHEMBL29630560 0.89 OPRK1 (0.46) RENOPRK1CTSD
SCHEMBL29590547 0.89 OPRK1 (0.46) RENOPRK1CTSD
SCHEMBL30819478 0.88 CALCRL (0.46) RENCTSDF2
SCHEMBL31583875 0.87 NMUR2 (0.54) NMUR2NMUR1F2
SCHEMBL29845324 0.86 REN (0.46) REN
SCHEMBL30385689 0.86 REN (0.47) RENCTSD
SCHEMBL11092435 0.86 REN (0.47) REN
SCHEMBL30819477 0.85 REN (0.44) REN
SCHEMBL29925778 0.85 ACE (0.43) RENOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025105948-A1 [99MTC]TC-IPD-L1 AS A TETRADECAPEPTIDE RADIOPHARMACEUTICAL FOR DETECTING AND MONITORING THE OVEREXPRESSION OF THE PD-L1 PROTEIN INSTITUTO NACIONAL DE INVESTIGACIONES NUCLEARES (MX) 2025-05-22 — — WO disclosed
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