SCHEMBL16229802

SCHEMBL16229802

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.38
SLC6A9 P48067 2/20 0.33
CARM1 Q86X55 3/20 0.32
PRMT6 Q96LA8 3/20 0.32
TRPV4 Q9HBA0 2/20 0.32
F2 P00734 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
DPP4 P27487 1/20 0.31
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
SCHEMBL16784643 0.92 GALR3 (0.43) GALR3SLC6A9CARM1PRMT6TRPV4
SCHEMBL16229799 0.91 SLC6A9 (0.33) SLC6A9TRPV1
SCHEMBL16229782 0.90 SLC6A9 (0.39) SLC6A9
SCHEMBL16229756 0.89 SLC6A9 (0.32) SLC6A9
SCHEMBL16229808 0.89 GALR3 (0.42) GALR3SLC6A9CARM1PRMT6TRPV4
SCHEMBL16229795 0.88 GALR3 (0.35) GALR3SLC6A9CARM1PRMT6TRPV4
SCHEMBL16229787 0.87 SLC6A9 (0.39) GALR3SLC6A9CARM1PRMT6TRPV4
SCHEMBL16784644 0.84 GALR3 (0.47) GALR3SLC6A9CARM1PRMT6TRPV4
SCHEMBL16229800 0.84 SLC6A9 (0.36) GALR3SLC6A9TRPV4
SCHEMBL16229811 0.83 SLC6A9 (0.50) SLC6A9

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 2 patents. 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
US-8883839-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-11 US disclosed