SCHEMBL16229769

SCHEMBL16229769

CN1C2C1C21Cc2cc(F)c(CCNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
RORC P51449 1/20 0.33
SCN9A Q15858 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SLC6A9 P48067 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 2/20 0.31
MDM2 Q00987 2/20 0.31
PKM P14618 1/20 0.30
HSD17B2 P37059 1/20 0.30

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
SCHEMBL16229754 0.92 RORC (0.32) RORC
SCHEMBL16229784 0.92 DPP4 (0.34) DPP4DPP8DPP9DPP7RORC
SCHEMBL16229778 0.91 NR1D1 (0.33) PKM
SCHEMBL16229795 0.89 GALR3 (0.35) DPP4SLC6A9NPC1PKM
SCHEMBL16229805 0.88 SLC6A9 (0.38) DPP4DPP8DPP9DPP7SCN9A
SCHEMBL16229756 0.88 SLC6A9 (0.32) RORCSLC6A9
SCHEMBL16229776 0.87 SLC6A9 (0.36) DPP4DPP8DPP9DPP7CNR1
SCHEMBL16229759 0.84 RORC (0.33) RORC
SCHEMBL16229761 0.83 SLC6A9 (0.37) SLC6A9TP53
SCHEMBL16784638 0.83 LMNA (0.34) 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