SCHEMBL11244562

SCHEMBL11244562

COC(=O)CCc1ccccc1NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.54
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
ABCB1 P08183 3/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
AURKA O14965 2/20 0.45
RPS6KB1 P23443 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
AURKB Q96GD4 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MITF O75030 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL11249758 0.90 RXFP1 (0.51) RXFP1FFAR1FFAR4ABCB1ABCG2
SCHEMBL11244569 0.81 FFAR1 (0.76) RXFP1FFAR1FFAR4KDM4EMEN1
SCHEMBL30645136 0.81 FFAR4 (0.54) FFAR1FFAR4KDM4EMEN1KMT2A
SCHEMBL365306 0.81 FFAR4 (0.54) FFAR1FFAR4KDM4EMEN1KMT2A
SCHEMBL11251408 0.78 CA12 (0.49) ABCB1ABCG2KDM4EMEN1KMT2A
SCHEMBL15682777 0.76 NPC1 (0.59) MEN1KMT2AALDH1A1TDP1MAPK14
SCHEMBL11252360 0.76 MAPT (0.47) FFAR1ABCB1ABCG2MEN1KMT2A
SCHEMBL13019460 0.75 ALDH1A1 (0.61) RXFP1KDM4EKMT2AALDH1A1HTT
SCHEMBL18047219 0.74 RXFP1 (0.53) RXFP1FFAR1FFAR4KDM4EMEN1
SCHEMBL18047218 0.74 RXFP1 (0.53) RXFP1FFAR1FFAR4KDM4EMEN1

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-4362892-A ARALKYLANILINES, ANTICHOLESTEROL AGENTS BEECHAM GROUP LIMITED (GB) 1982-12-07 US disclosed
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 US disclosed