SCHEMBL16784647

SCHEMBL16784647

CN1C2C1C21Cc2cc(F)c(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.38
PLA2G1B P04054 1/20 0.34
PKM P14618 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
HTT P42858 1/20 0.33
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
SLC6A9 P48067 1/20 0.33
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
P2RX7 Q99572 1/20 0.32
EGFR P00533 1/20 0.32
HSD11B1 P28845 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL16229795 0.92 GALR3 (0.35) GALR3PLA2G1BPKMATG4BHTT
SCHEMBL16229759 0.90 RORC (0.33) CARM1PRMT6
SCHEMBL16784638 0.89 LMNA (0.34) SLC6A9
SCHEMBL16229784 0.89 DPP4 (0.34) PKMSLC6A9
SCHEMBL16784637 0.88 GALR3 (0.43) GALR3PLA2G1BPKMATG4BHTT
SCHEMBL16784643 0.88 GALR3 (0.43) GALR3PLA2G1BPKMATG4BHTT
SCHEMBL16229812 0.86 SLC6A9 (0.39) GALR3PLA2G1BPKMATG4BCARM1
SCHEMBL16229771 0.83 GALR3 (0.38) GALR3CARM1PRMT6SLC6A9
SCHEMBL16229772 0.83 AXL (0.37) GALR3SLC6A9AXLTYRO3MERTK
SCHEMBL16229803 0.83 SLC6A9 (0.48) GALR3SLC6A9

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-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed