SCHEMBL6779496

SCHEMBL6779496

c1ccc(-c2ccccc2CNc2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KCNA5 P22460 4/20 0.44
KCNH2 Q12809 2/20 0.44
F2 P00734 2/20 0.44
DPP4 P27487 1/20 0.44
BRD4 O60885 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
ROCK2 O75116 1/20 0.43
GRK2 P25098 1/20 0.43
ADRA2B P18089 1/20 0.43
PRSS1 P07477 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL6780133 0.79 MEN1 (0.60) FFAR1FFAR4HDAC3HDAC1HDAC2
SCHEMBL17325764 0.79 HTT (0.66) ROCK2ROCK1
SCHEMBL28227000 0.77 FFAR1 (0.52) FFAR1FFAR4HDAC3HDAC1HDAC2
SCHEMBL6924151 0.76 FFAR1 (0.58) FFAR1FFAR4CYP11B1CYP11B2HDAC3
SCHEMBL14044097 0.76 FFAR1 (0.66) FFAR1FFAR4HDAC3HDAC1HDAC2
SCHEMBL6778391 0.76 FFAR1 (0.55) FFAR1FFAR4ALDH1A1
SCHEMBL22910534 0.75 LTA4H (0.53) CYP11B1CYP11B2KCNA5KCNH2DPP4
SCHEMBL11339286 0.75 ADRA2B (0.49) HDAC1F2ROCK2GRK2ADRA2B
SCHEMBL27935474 0.74 KCNA5 (0.55) FFAR1FFAR4HDAC3HDAC1HDAC2
SCHEMBL2126955 0.74 F2 (0.70) HDAC1ALDH1A1F2PRSS1LTA4H

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-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 US disclosed