SCHEMBL16100372

SCHEMBL16100372

O=C(O)N1CCCC(Oc2cc3nnc(Br)n3cc2C2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.43
JAK3 P52333 1/20 0.34
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN8A Q9UQD0 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
SCHEMBL17418092 0.86 PDE4B (0.44) SCN9A
SCHEMBL17418090 0.86 PDE4B (0.44) SCN9A
SCHEMBL16119913 0.78 SCN9A (0.42) SCN9A
SCHEMBL16119915 0.73 SCN9A (0.73) SCN9AJAK3
SCHEMBL17418028 0.73 SCN9A (0.73) SCN9AJAK3
SCHEMBL17418067 0.70 SCN9A (0.64) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL16094094 0.68 TAAR1 (0.38) JAK3
SCHEMBL17433264 0.68 SCN9A (0.64) SCN9ASCN5A
SCHEMBL16100427 0.67 PDE4B (0.45) SCN9A
SCHEMBL16100429 0.67 PDE4B (0.45) SCN9A

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-2968280-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed