SCHEMBL29508409

SCHEMBL29508409

CC(C)C[C@@H](n1cnc2cnc3ccccc3c21)C(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.40
TSHR P16473 1/20 0.38
TLR7 Q9NYK1 7/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
ADORA2A P29274 1/20 0.34
ADRA1A P35348 1/20 0.34
NUDT1 P36639 1/20 0.34
HTR2B P41595 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
DUSP10 Q9Y6W6 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AAK1 Q2M2I8 2/20 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
SCHEMBL22749242 1.00 USP5 (0.40) USP5TSHRTLR7LMNAPOLB
SCHEMBL29508398 0.88 USP5 (0.39) USP5TSHRTLR7LMNADUSP10
SCHEMBL22749271 0.85 USP5 (0.37) USP5TSHRTLR7LMNAPDE4D
SCHEMBL22749243 0.83 TLR7 (0.39) USP5TSHRTLR7LMNAPDE4D
SCHEMBL29508402 0.83 TLR7 (0.39) USP5TSHRTLR7LMNAPDE4D
SCHEMBL22749324 0.83 USP5 (0.44) USP5TSHRTLR7LMNAPOLB
SCHEMBL29508401 0.83 USP5 (0.44) USP5TSHRTLR7LMNAPOLB
SCHEMBL21994853 0.82 TLR7 (0.36) USP5TSHRTLR7POLBNUDT1
SCHEMBL21995110 0.82 TLR7 (0.36) USP5TSHRTLR7POLBNUDT1
SCHEMBL10588967 0.82 USP5 (0.42) USP5TSHRTLR7LMNAPOLB

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-3980415-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2022-04-13 EP disclosed