SCHEMBL2032

SCHEMBL2032

CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H](C(=O)OC)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.66
LTB4R2 Q9NPC1 11/20 0.52
ABCB11 O95342 1/20 0.52
GP6 Q9HCN6 1/20 0.52
MME P08473 1/20 0.40
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL2033 1.00 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL29561367 1.00 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL1808771 1.00 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL2978 0.93 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL2979 0.93 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL8487504 0.91 AGTR1 (0.56) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL2629 0.90 LTB4R2 (0.54) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL2628 0.90 LTB4R2 (0.54) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL27791229 0.90 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL27791231 0.90 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6MME

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
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