SCHEMBL31583852

SCHEMBL31583852

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.63
▸ ECE1 P42892 5/20 0.59
▸ IL1RN P18510 6/20 0.58
▸ GHSR Q92847 6/20 0.58
▸ ERAP1 Q9NZ08 4/20 0.58
▸ ACE P12821 1/20 0.55

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
SCHEMBL29378588 1.00 ERAP2 (0.63) ERAP2ECE1IL1RNGHSRERAP1
SCHEMBL29531497 0.96 ERAP2 (0.61) ERAP2ECE1IL1RNGHSRERAP1
SCHEMBL31004384 0.96 ERAP2 (0.61) ERAP2ECE1IL1RNGHSRERAP1
SCHEMBL31583409 0.95 ERAP2 (0.60) ERAP2ECE1IL1RNGHSRERAP1
SCHEMBL30874407 0.95 ERAP2 (0.58) ERAP2ECE1IL1RNGHSRERAP1
SCHEMBL30788017 0.95 ERAP2 (0.64) ERAP2ECE1IL1RNGHSRERAP1
SCHEMBL29819949 0.93 GHSR (0.62) ERAP2ECE1IL1RNGHSRERAP1
SCHEMBL29603261 0.93 KDM4E (0.59) GHSRACE
SCHEMBL1387764 0.92 KDM4E (0.61) ECE1GHSRACE
SCHEMBL3048070 0.92 KDM4E (0.61) ECE1GHSRACE

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 claimed
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