SCHEMBL3662145

SCHEMBL3662145

CC(C)(C)C(NC(=O)O)C1CCCc2cc(N)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
NR1H2 P55055 1/20 0.34
GHSR Q92847 1/20 0.33
LMNA P02545 2/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
HPGD P15428 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HTR6 P50406 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
CTSD P07339 2/20 0.32
BACE1 P56817 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL17258086 0.69 BRD4 (0.43) BRD4ATAD2HTR6
SCHEMBL27709898 0.69 LMNA (0.44) LMNAHPGDHTR6TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL9523688 0.68 BRD4 (0.43) BRD4ATAD2HTR6USP2
SCHEMBL15820031 0.68 BRD4 (0.40) BRD4ATAD2HTR6TAS1R3TAS1R1
SCHEMBL10752692 0.67 BRD4 (0.42) BRD4ATAD2DRD2DRD1DRD5
SCHEMBL4639207 0.67 BRD4 (0.42) BRD4ATAD2NR1H2DRD2DRD1
SCHEMBL1353797 0.67 GFER (0.43) LMNAUSP2HTT
SCHEMBL3020437 0.67 HTR6 (0.43) HTR6
SCHEMBL3665960 0.66 OPRD1 (0.37) BRD4ATAD2OPRD1
SCHEMBL1440858 0.66 CA12 (0.50) LMNATAS1R3TAS1R1TAS1R2HTT

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
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed