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SCHEMBL14520487

SCHEMBL14520487

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 4/20 0.63
▸ AGTR1 P30556 4/20 0.63
▸ C5AR1 P21730 2/20 0.57
▸ EPHA2 P29317 2/20 0.57
▸ F2 P00734 4/20 0.56
▸ APLNR P35414 1/20 0.55
▸ NTSR1 P30989 2/20 0.53
▸ NTSR2 O95665 1/20 0.53
▸ ANPEP P15144 1/20 0.51
▸ LNPEP Q9UIQ6 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ CALCR P30988 1/20 0.51

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
Angiotensin Ii SCHEMBL22125774 0.95 AGTR2 (0.69) AGTR2AGTR1C5AR1EPHA2F2
Angiotensin Ii SCHEMBL9013950 0.95 AGTR2 (0.69) AGTR2AGTR1C5AR1EPHA2F2
Angiotensin Ii SCHEMBL29757879 0.95 AGTR2 (0.69) AGTR2AGTR1C5AR1EPHA2F2
SCHEMBL30445863 0.95 AGTR2 (0.69) AGTR2AGTR1C5AR1EPHA2F2
Angiotensin Ii SCHEMBL9013957 0.95 AGTR2 (0.69) AGTR2AGTR1C5AR1EPHA2F2
Angiotensin Ii SCHEMBL28966994 0.94 AGTR2 (0.68) AGTR2AGTR1C5AR1EPHA2F2
Angiotensin Ii SCHEMBL30960106 0.94 AGTR2 (0.68) AGTR2AGTR1C5AR1EPHA2F2
SCHEMBL34469957 0.94 AGTR1 (0.62) AGTR2AGTR1C5AR1EPHA2F2
SCHEMBL24454648 0.94 AGTR2 (0.69) AGTR2AGTR1C5AR1EPHA2F2
SCHEMBL29976758 0.93 AGTR2 (0.65) AGTR2AGTR1C5AR1EPHA2F2

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
US-20070087447-A1 System and method of free radical initiated protein sequencing CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-04-19 — — US disclosed