SCHEMBL31516404

SCHEMBL31516404

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.54
▸ F2 P00734 4/20 0.52
▸ C5AR1 P21730 2/20 0.52
▸ CALCR P30988 4/20 0.51
▸ OPRM1 P35372 1/20 0.50
▸ HCRTR1 O43613 1/20 0.50
▸ HCRTR2 O43614 1/20 0.50
▸ AGTR1 P30556 1/20 0.49
▸ AGTR2 P50052 1/20 0.49

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
SCHEMBL31516398 0.90 F2 (0.53) SLC6A2F2C5AR1CALCROPRM1
SCHEMBL32691571 0.90 SLC6A2 (0.64) SLC6A2C5AR1OPRM1
SCHEMBL32691265 0.90 SLC6A2 (0.62) SLC6A2C5AR1OPRM1AGTR1AGTR2
SCHEMBL30712932 0.88 F2 (0.65) F2CALCRHCRTR1HCRTR2
SCHEMBL32691359 0.87 SLC6A2 (0.70) SLC6A2F2C5AR1OPRM1
SCHEMBL31573972 0.87 C5AR1 (0.48) SLC6A2F2C5AR1CALCRHCRTR1
SCHEMBL32691552 0.87 SLC6A2 (0.67) SLC6A2F2C5AR1OPRM1AGTR1
SCHEMBL30824284 0.87 CALCR (0.64) F2CALCRHCRTR1HCRTR2
SCHEMBL29679847 0.86 F2 (0.63) F2C5AR1CALCROPRM1HCRTR1
SCHEMBL31462343 0.86 CALCR (0.59) F2C5AR1CALCROPRM1HCRTR1

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
CN-119925563-A Small molecule peptide composition for repairing cerebral apoplexy brain cells based on stem cell targeting 北京钦川科技有限公司 2025-05-06 — — CN claimed
CN-119925563-A Small molecule peptide composition for repairing cerebral apoplexy brain cells based on stem cell targeting 北京钦川科技有限公司 2025-05-06 — — CN disclosed
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