SCHEMBL16094355

SCHEMBL16094355

FCC1(CF)CCC(COc2cc(Cl)ncc2Br)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.36
SCN9A Q15858 5/20 0.31
CNR1 P21554 3/20 0.31
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 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
SCHEMBL16093969 0.82 CNR2 (0.39) CNR2SCN9A
SCHEMBL16099644 0.81 THRA (0.45) CNR2SCN9A
SCHEMBL17433251 0.79 SCN9A (0.45) CNR2SCN9ACNR1HTR2CHTR2B
SCHEMBL16094368 0.78 CHUK (0.34) CNR2
SCHEMBL17418119 0.78 SCN9A (0.42) CNR2SCN9ACNR1HTR2CHTR2B
SCHEMBL16119902 0.78 SCN9A (0.42) CNR2SCN9ACNR1HTR2CHTR2B
SCHEMBL17418101 0.75 SCN9A (0.41) CNR2SCN9A
SCHEMBL17418099 0.75 SCN9A (0.41) CNR2SCN9A
SCHEMBL16119904 0.75 SCN9A (0.41) CNR2SCN9A
SCHEMBL16093924 0.73 CNR2 (0.38) CNR2SCN9ACNR1

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