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Sugi Predict / Compounds / SCHEMBL30059638

SCHEMBL30059638

SCHEMBL30059638

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.63
▸ CALCRL Q16602 4/20 0.52
▸ REN P00797 3/20 0.51
▸ NTSR1 P30989 1/20 0.50
▸ CMA1 P23946 1/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ BACE1 P56817 1/20 0.48

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
SCHEMBL30094362 0.94 SLC6A2 (0.54) SLC6A2RENCMA1
SCHEMBL30059762 0.92 SLC6A2 (0.50) SLC6A2CALCRLNTSR1BACE1
SCHEMBL30690065 0.90 SLC6A2 (0.59) SLC6A2CALCRLNTSR1
SCHEMBL31151838 0.89 SLC6A2 (0.73) SLC6A2CALCRLREN
SCHEMBL29616319 0.88 SLC6A2 (0.53) SLC6A2REN
SCHEMBL38665591 0.88 SLC6A2 (0.59) SLC6A2CALCRLNTSR1BACE1
SCHEMBL30974085 0.88 NTSR1 (0.53) SLC6A2CALCRLNTSR1KEAP1
SCHEMBL31247408 0.86 SLC6A2 (0.55) SLC6A2CALCRLNTSR1KEAP1
SCHEMBL8142396 0.85 BACE1 (0.49) CALCRLRENBACE1
SCHEMBL30412382 0.85 OPRM1 (0.54) SLC6A2REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317826-A1 COMPOSITIONS AND METHODS FOR TREATING AND/OR IDENTIFYING AN AGENT FOR TREATING HIV-1 INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-09-26 — — US claimed
WO-2022240959-A2 COMPOSITIONS AND METHODS FOR TREATING AND/OR IDENTIFYING AN AGENT FOR TREATING HIV-1 INFECTIONS ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2022-11-17 — — WO claimed
US-20240317826-A1 COMPOSITIONS AND METHODS FOR TREATING AND/OR IDENTIFYING AN AGENT FOR TREATING HIV-1 INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-09-26 — — US disclosed
WO-2022240959-A2 COMPOSITIONS AND METHODS FOR TREATING AND/OR IDENTIFYING AN AGENT FOR TREATING HIV-1 INFECTIONS ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2022-11-17 — — WO disclosed
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