SCHEMBL16784644

SCHEMBL16784644

CN1C2C1C21Cc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.47
TRPV4 Q9HBA0 3/20 0.37
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 2/20 0.36
SLC6A9 P48067 3/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
GUSB P08236 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34

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
SCHEMBL16229808 0.94 GALR3 (0.42) GALR3TRPV4CARM1PRMT6SLC6A9
SCHEMBL16784642 0.89 SLC6A9 (0.35) GALR3CARM1PRMT6SLC6A9GUSB
SCHEMBL16784643 0.89 GALR3 (0.43) GALR3TRPV4CARM1PRMT6SLC6A9
SCHEMBL16784628 0.88 SLC6A9 (0.44) GALR3SLC6A9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16784637 0.88 GALR3 (0.43) GALR3TRPV4CARM1PRMT6SLC6A9
SCHEMBL16784656 0.87 SLC6A9 (0.35) GALR3CARM1PRMT6SLC6A9HSD11B1
SCHEMBL16229781 0.87 SLC6A9 (0.49) GALR3SLC6A9
SCHEMBL16229802 0.84 GALR3 (0.38) GALR3TRPV4CARM1PRMT6SLC6A9
SCHEMBL16784636 0.83 GALR3 (0.41) GALR3TRPV4CARM1PRMT6SLC6A9
SCHEMBL16229771 0.83 GALR3 (0.38) GALR3CARM1PRMT6SLC6A9KDM4E

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