SCHEMBL16229772

SCHEMBL16229772

CN1C2C1C21Cc2cc(F)c(CNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.37
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
GPBAR1 Q8TDU6 2/20 0.36
GALR3 O60755 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
TRPV4 Q9HBA0 2/20 0.34
SLC6A9 P48067 1/20 0.34
NAMPT P43490 1/20 0.34
ALK Q9UM73 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
ELANE P08246 1/20 0.32
SLC8A1 P32418 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
SCHEMBL16229800 0.93 SLC6A9 (0.36) AXLTYRO3MERTKGALR3TRPV4
SCHEMBL16229792 0.91 POLB (0.35) SLC6A9NAMPTALKCYP19A1ALDH1A1
SCHEMBL16784652 0.90 SLC8A1 (0.37) SLC6A9SMN1; SMN2LMNASLC8A1
SCHEMBL16229766 0.90 TP53 (0.35) SLC6A9NAMPTALKSMN1; SMN2HSD11B1
SCHEMBL16784636 0.89 GALR3 (0.41) AXLTYRO3MERTKGALR3TRPV1
SCHEMBL16784648 0.87 SLC6A9 (0.42) AXLTYRO3MERTKGALR3SLC6A9
SCHEMBL16229803 0.86 SLC6A9 (0.48) GALR3SLC6A9ALDH1A1LMNA
SCHEMBL16229810 0.84 SLC6A9 (0.38) AXLTYRO3MERTKGALR3SLC6A9
SCHEMBL16229806 0.84 DGAT1 (0.35) SLC6A9ALKALDH1A1LMNA
SCHEMBL16784643 0.83 GALR3 (0.43) GALR3TRPV1TRPV4SLC6A9

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