SCHEMBL9010599

SCHEMBL9010599

CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(N)CCCNC(=N)N)C(C)C)C(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.62
AGTR2 P50052 3/20 0.62
C5AR1 P21730 2/20 0.62
NTSR2 O95665 10/20 0.58
NTSR1 P30989 10/20 0.58
SORT1 Q99523 10/20 0.58
REN P00797 2/20 0.55
ANPEP P15144 1/20 0.54
LNPEP Q9UIQ6 1/20 0.54
APLNR P35414 1/20 0.54

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
SCHEMBL29649735 1.00 AGTR1 (0.62) AGTR1AGTR2C5AR1NTSR2NTSR1
SCHEMBL9010604 1.00 AGTR1 (0.62) AGTR1AGTR2C5AR1NTSR2NTSR1
Acetic Acid SCHEMBL29619795 0.99 AGTR1 (0.61) AGTR1AGTR2C5AR1NTSR2NTSR1
SCHEMBL29976843 0.97 C5AR1 (0.58) AGTR1AGTR2C5AR1NTSR2NTSR1
SCHEMBL8741230 0.97 C5AR1 (0.59) AGTR1AGTR2C5AR1NTSR2NTSR1
SCHEMBL29976469 0.97 C5AR1 (0.65) AGTR1AGTR2C5AR1NTSR2NTSR1
SCHEMBL29619803 0.97 C5AR1 (0.65) AGTR1AGTR2C5AR1NTSR2NTSR1
SCHEMBL29973760 0.96 AGTR2 (0.63) AGTR1AGTR2C5AR1NTSR2NTSR1
SCHEMBL29701260 0.96 C5AR1 (0.60) AGTR1AGTR2C5AR1NTSR2NTSR1
Angiotensin Ii SCHEMBL9013957 0.95 AGTR2 (0.69) AGTR1AGTR2C5AR1NTSR2NTSR1

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
EP-0740790-A1 HOMOGENEOUS IMMUNOASSAYS AND ENZYME BASED ASSAYS OF ANALYTES USING CAPILLARY ELECTROPHORESIS BECKMAN INSTRUMENTS, INC. (US) 1996-11-06 EP disclosed
WO-1995020161-A1 HOMOGENEOUS IMMUNOASSAYS AND ENZYME BASED ASSAYS OF ANALYTES USING CAPILLARY ELECTROPHORESIS BECKMAN INSTRUMENTS, INC. (US) 1995-07-27 WO disclosed