SCHEMBL2071

SCHEMBL2071

CCCCC(=O)N(CCCOCc1ccccc1)Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 13/20 0.54
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
AGTR1 P30556 2/20 0.46
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
MLNR O43193 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
GBA1 P04062 1/20 0.43
UGCG Q16739 1/20 0.43
GBA2 Q9HCG7 1/20 0.43

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
SCHEMBL2043 0.95 LTB4R2 (0.55) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL1986 0.89 LTB4R2 (0.53) LTB4R2OXTRAVPR1AAGTR1MLNR
SCHEMBL2225 0.86 LTB4R2 (0.54) LTB4R2OXTRAVPR1AAGTR1HDAC3
SCHEMBL2454 0.86 LTB4R2 (0.53) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL2089 0.85 LTB4R2 (0.55) LTB4R2AGTR1HDAC3HDAC1HDAC2
SCHEMBL2124 0.84 LTB4R2 (0.54) LTB4R2AGTR1HDAC3HDAC1HDAC2
SCHEMBL2730 0.83 LTB4R2 (0.53) LTB4R2OXTRAVPR1AAGTR1HDAC3
SCHEMBL9429910 0.81 LTB4R2 (0.53) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL2453 0.80 AGTR1 (0.51) LTB4R2AGTR1
SCHEMBL1900 0.80 LTB4R2 (0.53) LTB4R2OXTRAVPR1AAGTR1FFAR1

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