SCHEMBL16784643

SCHEMBL16784643

CN1C2C1C21Cc2cc(F)c(CNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.43
TRPV4 Q9HBA0 2/20 0.34
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
SLC6A9 P48067 1/20 0.33
PLA2G1B P04054 1/20 0.33
PKM P14618 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
HTT P42858 1/20 0.32
GUSB P08236 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL16229802 0.92 GALR3 (0.38) GALR3TRPV4CARM1PRMT6SLC6A9
SCHEMBL16229762 0.90 KMT2A (0.32) GALR3CARM1PRMT6SLC6A9TRPV1
SCHEMBL16784629 0.89 LMNA (0.36) GALR3SLC6A9
SCHEMBL16229764 0.89 KMT2A (0.32) GALR3SLC6A9PKM
SCHEMBL16784644 0.89 GALR3 (0.47) GALR3TRPV4CARM1PRMT6SLC6A9
SCHEMBL16784647 0.88 GALR3 (0.38) GALR3TRPV4CARM1PRMT6SLC6A9
SCHEMBL16229787 0.86 SLC6A9 (0.39) GALR3TRPV4CARM1PRMT6SLC6A9
SCHEMBL16229808 0.84 GALR3 (0.42) GALR3TRPV4CARM1PRMT6SLC6A9
SCHEMBL16229772 0.83 AXL (0.37) GALR3TRPV4SLC6A9TRPV1
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