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SCHEMBL31232500

SCHEMBL31232500

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

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 6/20 0.63
▸ GHSR Q92847 6/20 0.60
▸ ECE1 P42892 5/20 0.58
▸ IL1RN P18510 5/20 0.58
▸ ERAP1 Q9NZ08 4/20 0.58
▸ NTSR2 O95665 1/20 0.56
▸ NTSR1 P30989 1/20 0.56
▸ SORT1 Q99523 1/20 0.56
▸ 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
SCHEMBL31720495 0.97 ERAP2 (0.63) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL31004373 0.96 ERAP2 (0.61) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL30788017 0.94 ERAP2 (0.64) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL29531497 0.94 ERAP2 (0.61) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL31004384 0.94 ERAP2 (0.61) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL30929763 0.94 ERAP2 (0.58) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL31720527 0.93 ERAP2 (0.63) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL30465909 0.93 ERAP2 (0.70) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL29691762 0.93 ERAP2 (0.70) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL30416193 0.92 ECE1 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642492-A1 AN ANTIBODY-DRUG CONJUGATE HAVING TWO OR MORE FUNCTIONAL SMALL MOLECULE COMPOUNDS FOR ENHANCED TREATMENT OF REFRACTORY DISEASES Hangzhou Seehe Biotechnology Co., Ltd (CN) 2025-11-05 — — EP claimed
WO-2024240173-A1 AN ANTIBODY-DRUG CONJUGATE HAVING TWO OR MORE FUNCTIONAL SMALL MOLECULE COMPOUNDS FOR ENHANCED TREATMENT OF REFRACTORY DISEASES HANGZHOU SEEHE BIOTECHNOLOGY CO., LTD (CN) 2024-11-28 — — WO claimed
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