SCHEMBL4628774

SCHEMBL4628774

C1CNC(c2nnn[nH]2)C1.[CsH]

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CHRM5 P08912 5/20 0.33
CHRM3 P20309 5/20 0.33
CHRM2 P08172 5/20 0.33
CHRM1 P11229 4/20 0.33
CHRM4 P08173 4/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
PARP1 P09874 2/20 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
SCHEMBL2991651 1.00 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL812418 0.98 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL953414 0.98 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2994601 0.98 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2996449 0.96 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2998727 0.96 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2996446 0.96 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2998728 0.96 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL943172 0.92 MEN1 (0.39) CHRNB2CHRNA7CHRNA4L3MBTL1PARP1
Proline SCHEMBL28261914 0.84 GRIN2D (0.35) PARP1

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-1907378-A1 PREPARATION OF TERAZOLE DERIVATIVES Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007009716-A1 PREPARATION OF TERAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-01-25 WO disclosed