SCHEMBL16094181

SCHEMBL16094181

CC1(C)C2C[C@@H]1CCC2COc1cc(Cl)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.46
SCN5A Q14524 1/20 0.46
S1PR1 P21453 1/20 0.41
CACNA1C Q13936 1/20 0.36
CXCR3 P49682 1/20 0.35
HDAC6 Q9UBN7 2/20 0.33
ALOX15 P16050 1/20 0.33
CNR1 P21554 1/20 0.32
TBXA2R P21731 2/20 0.31
RET P07949 1/20 0.31
MAPK14 Q16539 1/20 0.31
CAMK1D Q8IU85 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL17418127 1.00 SCN9A (0.46) SCN9ASCN5AS1PR1CACNA1CCXCR3
SCHEMBL16119827 1.00 SCN9A (0.46) SCN9ASCN5AS1PR1CACNA1CCXCR3
SCHEMBL17418112 0.75 SCN9A (0.49) SCN9ASCN5AS1PR1CACNA1CHDAC6
SCHEMBL17418072 0.75 SCN9A (0.49) SCN9ASCN5AS1PR1CACNA1CHDAC6
SCHEMBL17418081 0.74 SCN9A (0.54) SCN9ASCN5AS1PR1CACNA1CALOX15
SCHEMBL16119833 0.74 SCN9A (0.54) SCN9ASCN5AS1PR1CACNA1CALOX15
SCHEMBL17418003 0.71 SCN9A (0.41) SCN9ASCN5AS1PR1CACNA1CCXCR3
SCHEMBL17418002 0.71 SCN9A (0.41) SCN9ASCN5AS1PR1CACNA1CCXCR3
SCHEMBL17433251 0.71 SCN9A (0.45) SCN9ACNR1CNR2
SCHEMBL18400103 0.71 CNR2 (0.31) CNR2

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