SCHEMBL30901124

SCHEMBL30901124

CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CCC(O)(O)C=C1)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 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.46
▸ AGTR2 P50052 1/20 0.46
▸ APLNR P35414 1/20 0.45
▸ C5AR1 P21730 1/20 0.43
▸ CTSL P07711 3/20 0.43
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ CTSH P09668 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ F2 P00734 4/20 0.43
▸ NTSR1 P30989 2/20 0.43
▸ CXCR4 P61073 1/20 0.42
▸ EPHA2 P29317 2/20 0.41
▸ NTSR2 O95665 1/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.41

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
SCHEMBL30901125 0.89 AGTR2 (0.47) AGTR1AGTR2APLNRC5AR1CTSL
SCHEMBL30901123 0.88 AGTR2 (0.53) AGTR1AGTR2APLNRC5AR1CTSL
SCHEMBL30901130 0.85 AGTR1 (0.49) AGTR1AGTR2APLNRC5AR1CTSL
SCHEMBL29808558 0.84 F2 (0.54) AGTR1AGTR2APLNRC5AR1CTSL
SCHEMBL29701256 0.84 AGTR2 (0.65) AGTR1AGTR2APLNRC5AR1F2
SCHEMBL29701258 0.84 AGTR2 (0.55) AGTR1AGTR2APLNRC5AR1MC4R
SCHEMBL29808351 0.84 F2 (0.54) AGTR1AGTR2APLNRC5AR1CTSL
Talfirastide SCHEMBL15926158 0.84 AGTR1 (0.59) AGTR1AGTR2APLNRC5AR1MC4R
SCHEMBL29607839 0.83 C5AR1 (0.56) APLNRC5AR1MC4RF2NTSR1
SCHEMBL7052378 0.82 AGTR2 (0.65) AGTR1AGTR2APLNRC5AR1F2

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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