SCHEMBL8741218

SCHEMBL8741218

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CO)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.54
▸ AGTR1 P30556 4/20 0.53
▸ APLNR P35414 1/20 0.51
▸ EPHA2 P29317 2/20 0.50
▸ NTSR1 P30989 4/20 0.50
▸ AGTR2 P50052 2/20 0.50
▸ NTSR2 O95665 2/20 0.50
▸ F2 P00734 4/20 0.50
▸ MC4R P32245 1/20 0.48
▸ SORT1 Q99523 1/20 0.47

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
SCHEMBL30901126 0.94 AGTR1 (0.54) C5AR1AGTR1APLNREPHA2NTSR1
SCHEMBL30901127 0.94 C5AR1 (0.52) C5AR1AGTR1APLNREPHA2NTSR1
SCHEMBL29602954 0.93 C5AR1 (0.55) C5AR1AGTR1NTSR1AGTR2NTSR2
SCHEMBL11162238 0.93 C5AR1 (0.53) C5AR1AGTR1APLNREPHA2NTSR1
SCHEMBL11021263 0.93 C5AR1 (0.53) C5AR1AGTR1APLNREPHA2NTSR1
Talfirastide SCHEMBL15926158 0.92 AGTR1 (0.59) C5AR1AGTR1APLNREPHA2NTSR1
SCHEMBL10924118 0.91 AGTR1 (0.53) C5AR1AGTR1APLNREPHA2NTSR1
SCHEMBL11024256 0.91 C5AR1 (0.52) C5AR1AGTR1APLNREPHA2NTSR1
SCHEMBL11208567 0.91 C5AR1 (0.56) C5AR1AGTR1APLNREPHA2AGTR2
SCHEMBL11022870 0.90 AGTR1 (0.53) C5AR1AGTR1APLNREPHA2NTSR1

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
EP-0724387-A4 TREATMENT OF CHRONIC ANTI-INFLAMMATORY DISEASES BY ANGIOTENSION II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-06-18 — — EP disclosed
EP-0724387-A1 TREATMENT OF CHRONIC ANTI-INFLAMMATORY DISEASES BY ANGIOTENSION II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-07 — — EP disclosed
WO-1995006410-A1 TREATMENT OF CHRONIC INFLAMMATORY DISEASES BY ANGIOTENSION II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-03-09 — — WO disclosed
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