SCHEMBL26944348

SCHEMBL26944348

Cc1ccc(CN2CCC(F)(F)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
TLR7 Q9NYK1 3/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
GLS O94925 1/20 0.41
BRD4 O60885 1/20 0.41
HRH1 P35367 1/20 0.40
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP2D6 P10635 1/20 0.39
IDH1 O75874 1/20 0.39
GRM2 Q14416 1/20 0.38

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
SCHEMBL26944345 0.82 KMT2A (0.46) HRH3TLR7TLR9TLR8HRH1
SCHEMBL4554100 0.82 CHRNB2 (0.56) HRH3CHRNB2CHRNA4
SCHEMBL12049097 0.82 CHRNB2 (0.51) HRH3HRH1MEN1KMT2AATM
SCHEMBL16345634 0.81 TRPV6 (0.48) HRH3AXLFLT3TYRO3MERTK
SCHEMBL3508945 0.81 KMT2A (0.56) HRH3MEN1KMT2AATMCHRNB2
SCHEMBL31003316 0.81 IDH1 (0.49) HRH3TLR7BRD4AXLFLT3
SCHEMBL12334539 0.80 HRH3 (0.59) HRH3MEN1KMT2ACYP2D6CHRNB2
SCHEMBL21552456 0.80 HPGD (0.59) MEN1KMT2ACYP2D6
SCHEMBL1666554 0.79 ALDH1A1 (0.61) HRH1MEN1KMT2AATM
SCHEMBL14308131 0.79 LMNA (0.54) HRH3MEN1KMT2AATM

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
WO-2023235925-A1 COMPOUNDS WITH MERTK ACTIVITY MONASH UNIVERSITY (AU) 2023-12-14 WO disclosed