SCHEMBL14167128

SCHEMBL14167128

c1csc(NCCC2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ SCN5A Q14524 5/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ SCN9A Q15858 5/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ FLT3 P36888 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ GAS6 Q14393 1/20 0.43
▸ HTR1A P08908 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ FFAR2 O15552 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
Acetic Acid SCHEMBL14167267 0.89 POLB (0.51) POLBSCN5ACYP3A4SCN9AEPHX2
SCHEMBL13493665 0.75 GRIN2B (0.46) POLBSCN5ACYP3A4SCN9AEPHX2
SCHEMBL2170934 0.73 — —
SCHEMBL11196251 0.73 — —
SCHEMBL4580288 0.73 — —
SCHEMBL14546926 0.73 — —
SCHEMBL622574 0.72 MEN1 (0.45) NPC1MEN1TSHRKMT2A
SCHEMBL12963710 0.72 SMN1; SMN2 (0.44) MEN1KMT2A
SCHEMBL12932868 0.71 SMN1; SMN2 (0.41) NPC1MEN1KMT2A
SCHEMBL12806994 0.71 GRIN2B (0.46) POLBSCN5ACYP3A4SCN9AEPHX2

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
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 — — EP disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — WO disclosed
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