SCHEMBL2529

SCHEMBL2529

CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)OC)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.53
LTB4R2 Q9NPC1 3/20 0.44
ABCB11 O95342 1/20 0.44
GP6 Q9HCN6 1/20 0.44
AGTR2 P50052 7/20 0.39

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
SCHEMBL8476202 0.93 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8472989 0.91 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL14998789 0.91 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2692 0.91 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8477037 0.90 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2773 0.90 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2252 0.85 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2251 0.85 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL29669823 0.85 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6
SCHEMBL2373 0.85 AGTR1 (0.73) AGTR1LTB4R2ABCB11GP6

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
WO-2007057919-A2 AN IMPROVED PROCESS FOR PREPARATION OF (S)-N-(1-CARBOXY-2-METHYL-PROP-1-YL)-N-PENTANOYL-N-[2'-(1H-TETRAZOL-5-YL)BIPHENYL-4-YLMETHYL]-AMINE ALEMBIC LIMITED (IN) 2007-05-24 WO disclosed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed