SCHEMBL9429769

SCHEMBL9429769

CCCCN(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)CCC(C)(C)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 10/20 0.49
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
AGTR1 P30556 2/20 0.39
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
LPAR1 Q92633 3/20 0.39
AGTR2 P50052 1/20 0.38

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
SCHEMBL9429628 0.94 LTB4R2 (0.42) LTB4R2HDAC1HDAC6OXTRAVPR1A
SCHEMBL9429437 0.91 LTB4R2 (0.48) LTB4R2HDAC1HDAC6HDAC3HDAC2
SCHEMBL9429910 0.86 LTB4R2 (0.53) LTB4R2HDAC1HDAC6HDAC3HDAC2
SCHEMBL9429460 0.83 LTB4R2 (0.53) LTB4R2HDAC1HDAC6HDAC3HDAC2
SCHEMBL1986 0.83 LTB4R2 (0.53) LTB4R2HDAC1HDAC6HDAC3HDAC2
SCHEMBL9429531 0.82 LTB4R2 (0.53) LTB4R2HDAC1HDAC6OXTRAVPR1A
SCHEMBL2225 0.82 LTB4R2 (0.54) LTB4R2HDAC1HDAC6HDAC3HDAC2
SCHEMBL2089 0.81 LTB4R2 (0.55) LTB4R2HDAC1HDAC6HDAC3HDAC2
SCHEMBL2124 0.80 LTB4R2 (0.54) LTB4R2HDAC1HDAC6HDAC3HDAC2
SCHEMBL2305 0.80 LTB4R2 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5369110-A Hypotensive agents, cardiac insufficiency treatment CIBA-GEIGY CORPORATION (US) 1994-11-29 US disclosed