SCHEMBL2776

SCHEMBL2776

CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)C1CCCC(C(=O)OCC)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 11/20 0.55
OXTR P30559 2/20 0.42
AVPR1A P37288 2/20 0.42
AGTR1 P30556 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
ACHE P22303 1/20 0.37
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL2099 0.91 LTB4R2 (0.55) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL2100 0.91 LTB4R2 (0.55) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL7272113 0.87 LTB4R2 (0.54) LTB4R2OXTRAVPR1AAGTR1ACHE
SCHEMBL2306 0.85 LTB4R2 (0.54) LTB4R2OXTRAVPR1AAGTR1NR1H4
SCHEMBL2307 0.85 LTB4R2 (0.54) LTB4R2OXTRAVPR1AAGTR1NR1H4
SCHEMBL7270253 0.83 LTB4R2 (0.54) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL3352 0.81 LTB4R2 (0.51) LTB4R2AGTR1
SCHEMBL2261 0.80 NR1H4 (0.41) OXTRAVPR1AATML3MBTL1NR1H4
SCHEMBL7280389 0.79 LTB4R2 (0.50) LTB4R2OXTRAVPR1AAGTR1NR1H4
SCHEMBL2260 0.78 ATM (0.42) OXTRAVPR1AATML3MBTL1NR1H4

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