SCHEMBL2305

SCHEMBL2305

CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 17/20 0.50
AGTR1 P30556 2/20 0.42
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
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
SCHEMBL8485848 0.91 LTB4R2 (0.41) LTB4R2AGTR1OXTRAVPR1AFFAR1
SCHEMBL2515 0.90 LTB4R2 (0.49) LTB4R2AGTR1OXTRAVPR1AFFAR1
SCHEMBL2445 0.84 LTB4R2 (0.53) LTB4R2AGTR1OXTRAVPR1AFFAR1
SCHEMBL2730 0.83 LTB4R2 (0.53) LTB4R2AGTR1OXTRAVPR1A
SCHEMBL2225 0.81 LTB4R2 (0.54) LTB4R2AGTR1OXTRAVPR1A
SCHEMBL1986 0.81 LTB4R2 (0.53) LTB4R2AGTR1OXTRAVPR1A
SCHEMBL1900 0.81 LTB4R2 (0.53) LTB4R2AGTR1OXTRAVPR1AFFAR1
SCHEMBL1711 0.80 LTB4R2 (0.49) LTB4R2AGTR1OXTRAVPR1AFFAR1
SCHEMBL2089 0.80 LTB4R2 (0.55) LTB4R2AGTR1
SCHEMBL9429769 0.80 LTB4R2 (0.49) LTB4R2AGTR1OXTRAVPR1AFFAR1

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
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
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed