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Sugi Predict / Compounds / SCHEMBL31583409

SCHEMBL31583409

SCHEMBL31583409

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.60
▸ GHSR Q92847 3/20 0.58
▸ KISS1R Q969F8 4/20 0.56
▸ ECE1 P42892 5/20 0.56
▸ IL1RN P18510 7/20 0.56
▸ ERAP1 Q9NZ08 3/20 0.56

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
SCHEMBL31583852 0.95 ERAP2 (0.63) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL29378588 0.95 ERAP2 (0.63) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL30788017 0.93 ERAP2 (0.64) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL29676442 0.92 NPBWR1 (0.61) —
SCHEMBL29531497 0.92 ERAP2 (0.61) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL31004384 0.92 ERAP2 (0.61) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL29819949 0.92 GHSR (0.62) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL30265193 0.92 GHSR (0.55) GHSR
SCHEMBL30788023 0.91 ERAP2 (0.63) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL31232500 0.91 ERAP2 (0.63) ERAP2GHSRECE1IL1RNERAP1

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 3 patents. 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 claimed
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
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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