SCHEMBL30901130

SCHEMBL30901130

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.49
▸ AGTR2 P50052 1/20 0.49
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 0.47
▸ KEAP1 Q14145 1/20 0.45
▸ EPHA2 P29317 2/20 0.45
▸ C5AR1 P21730 1/20 0.45
▸ APLNR P35414 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ CXCR4 P61073 2/20 0.44
▸ CALCR P30988 4/20 0.44
▸ MC4R P32245 1/20 0.43
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ NPY4R P50391 1/20 0.42
▸ NPY5R Q15761 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
SCHEMBL30901125 0.94 AGTR2 (0.47) AGTR1AGTR2CTSLCTSSCTSK
Talfirastide SCHEMBL15926158 0.92 AGTR1 (0.59) AGTR1AGTR2EPHA2C5AR1APLNR
SCHEMBL14921065 0.91 C5AR1 (0.49) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29701258 0.89 AGTR2 (0.55) AGTR1AGTR2EPHA2C5AR1APLNR
Angiotensin-Ii SCHEMBL29973063 0.88 AGTR2 (0.62) AGTR1AGTR2EPHA2C5AR1APLNR
SCHEMBL29972916 0.87 AGTR1 (0.62) AGTR1AGTR2EPHA2C5AR1CALCR
SCHEMBL9510693 0.87 AGTR1 (0.60) AGTR1AGTR2EPHA2C5AR1CALCR
SCHEMBL29602954 0.87 C5AR1 (0.55) AGTR1AGTR2C5AR1
SCHEMBL15928128 0.87 AGTR2 (0.59) AGTR1AGTR2C5AR1CALCR
SCHEMBL7052378 0.86 AGTR2 (0.65) AGTR1AGTR2EPHA2C5AR1APLNR

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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