SCHEMBL30901125

SCHEMBL30901125

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 2/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 0.47
▸ EPHA2 P29317 2/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ CXCR4 P61073 2/20 0.45
▸ APLNR P35414 1/20 0.45
▸ C5AR1 P21730 1/20 0.44
▸ MC4R P32245 1/20 0.44
▸ F2 P00734 1/20 0.42
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42

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
SCHEMBL30901130 0.94 AGTR1 (0.49) AGTR2AGTR1CTSLCTSSCTSK
SCHEMBL30901123 0.90 AGTR2 (0.53) AGTR2AGTR1CTSLCTSSCTSK
SCHEMBL30901124 0.89 AGTR1 (0.46) AGTR2AGTR1CTSLCTSSCTSK
SCHEMBL14921065 0.88 C5AR1 (0.49) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29701258 0.87 AGTR2 (0.55) AGTR2AGTR1EPHA2APLNRC5AR1
Talfirastide SCHEMBL15926158 0.87 AGTR1 (0.59) AGTR2AGTR1EPHA2APLNRC5AR1
Angiotensin-Ii SCHEMBL29973063 0.87 AGTR2 (0.62) AGTR2AGTR1EPHA2APLNRC5AR1
SCHEMBL29808558 0.86 F2 (0.54) AGTR2AGTR1CTSLCTSSCTSK
SCHEMBL29701256 0.86 AGTR2 (0.65) AGTR2AGTR1EPHA2APLNRC5AR1
SCHEMBL16212659 0.86 C5AR1 (0.54) CTSLCTSSCTSKCTSHAPLNR

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
EP-4371556-A1 ANGIOTENSIN(1-7) PHARMACEUTICAL COMPOSITIONS FOR INHALATION Explicat Pharma GmbH (DE) 2024-05-22 — — EP disclosed
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