SCHEMBL31134498

SCHEMBL31134498

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 8/20 0.57
▸ BACE1 P56817 9/20 0.51
▸ BACE2 Q9Y5Z0 2/20 0.50
▸ CTSD P07339 1/20 0.50
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ NTSR2 O95665 1/20 0.48
▸ NTSR1 P30989 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
SCHEMBL30657221 0.95 ENPEP (0.50) ENPEPBACE1BACE2CTSDGRIN2D
SCHEMBL30365494 0.95 GRIN2D (0.53) ENPEPBACE1BACE2CTSDGRIN2D
SCHEMBL30974505 0.95 GRIN2D (0.53) ENPEPBACE1BACE2CTSDGRIN2D
SCHEMBL29556987 0.94 NTSR2 (0.51) ENPEPBACE1BACE2CTSDGRIN2D
SCHEMBL30242230 0.93 BACE1 (0.57) ENPEPBACE1BACE2CTSDGRIN2D
SCHEMBL30974262 0.92 BACE1 (0.54) ENPEPBACE1BACE2CTSDGRIN2D
SCHEMBL8976222 0.92 GRIN2D (0.55) ENPEPBACE1BACE2CTSDGRIN2D
SCHEMBL8976242 0.92 GRIN2D (0.55) ENPEPBACE1BACE2CTSDGRIN2D
SCHEMBL30704395 0.91 ENPEP (0.51) ENPEPBACE1NTSR2NTSR1
SCHEMBL31287206 0.91 BACE1 (0.53) ENPEPBACE1BACE2CTSDGRIN2D

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
CN-118576691-A Medicine for treating cerebral hemorrhage 南通大学附属医院 2024-09-03 — — CN claimed
CN-118576691-A Medicine for treating cerebral hemorrhage 南通大学附属医院 2024-09-03 — — CN disclosed
CN-118576691-A Medicine for treating cerebral hemorrhage 南通大学附属医院 2024-09-03 — — CN disclosed
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