SCHEMBL5489422

SCHEMBL5489422

CCCCN(CCCC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AGTR1 P30556 10/20 0.40
AGTR2 P50052 9/20 0.40
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3116176 0.93 LTB4R2 (0.47) LTB4R2HDAC1HDAC6AGTR1AGTR2
SCHEMBL3112807 0.87 LTB4R2 (0.47) LTB4R2HDAC1HDAC6AGTR1AGTR2
SCHEMBL4609709 0.84 LTB4R2 (0.60) LTB4R2HDAC1HDAC6ALDH1A1HPGD
SCHEMBL3119670 0.84 LTB4R2 (0.48) LTB4R2AGTR1AGTR2
SCHEMBL3116785 0.83 LTB4R2 (0.44) LTB4R2HDAC1HDAC6AGTR1AGTR2
SCHEMBL3124786 0.82 LTB4R2 (0.43) LTB4R2HDAC1HDAC6AGTR1AGTR2
SCHEMBL3127027 0.82 LTB4R2 (0.45) LTB4R2AGTR1AGTR2
SCHEMBL3117096 0.82 HDAC6 (0.56) LTB4R2HDAC1HDAC6AGTR1AGTR2
SCHEMBL2964382 0.81 ROCK1 (0.38) LTB4R2HDAC1HDAC6AGTR1ALDH1A1
SCHEMBL3124799 0.81 HDAC6 (0.49) LTB4R2HDAC1HDAC6AGTR1AGTR2

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
EP-1745800-A1 NOVEL BLT2-MEDIATED DISEASE, AND BLT2 BINDING AGENT AND COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-24 EP disclosed