SCHEMBL16229808

SCHEMBL16229808

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.42
SLC6A9 P48067 3/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CARM1 Q86X55 3/20 0.34
PRMT6 Q96LA8 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
IDE P14735 1/20 0.34
PAX8 Q06710 1/20 0.34
TRPV4 Q9HBA0 2/20 0.33
KCNH2 Q12809 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL16784644 0.94 GALR3 (0.47) GALR3SLC6A9KDM4ETDP1CARM1
SCHEMBL16229785 0.89 DGAT1 (0.36) SLC6A9KMT2AKCNH2
SCHEMBL16229802 0.89 GALR3 (0.38) GALR3SLC6A9CARM1PRMT6TRPV4
SCHEMBL16229781 0.88 SLC6A9 (0.49) GALR3SLC6A9KCNH2
SCHEMBL16229747 0.88 SLC6A9 (0.43) SLC6A9KCNH2
SCHEMBL16229771 0.88 GALR3 (0.38) GALR3SLC6A9KDM4ETDP1CARM1
SCHEMBL16229807 0.88 SLC6A9 (0.36) SLC6A9KCNH2
SCHEMBL16784643 0.84 GALR3 (0.43) GALR3SLC6A9CARM1PRMT6TRPV4
SCHEMBL16229787 0.84 SLC6A9 (0.39) GALR3SLC6A9CARM1PRMT6TRPV4
SCHEMBL16229810 0.84 SLC6A9 (0.38) GALR3SLC6A9KDM4ETDP1

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