SCHEMBL31662265

SCHEMBL31662265

COC(=O)c1cc2cnn(C)c2cc1Oc1ccc(OCCCO)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
CACNA1H O95180 4/20 0.38
MAPK14 Q16539 1/20 0.37
PLK4 O00444 1/20 0.36
NTRK1 P04629 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
AXL P30530 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
MST1R Q04912 1/20 0.36
DDR1 Q08345 1/20 0.36
MERTK Q12866 1/20 0.36
CAMK4 Q16566 1/20 0.36
DDR2 Q16832 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PDE1C Q14123 2/20 0.36
FFAR1 O14842 1/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL31662264 1.00 SCN9A (0.40) SCN9ACACNA1HMAPK14PLK4NTRK1
SCHEMBL31662159 0.84 SCN9A (0.38) SCN9ACACNA1HMAPK14PLK4NTRK1
SCHEMBL31662618 0.83 CACNA1H (0.41) SCN9ACACNA1HMAPK14PLK4NTRK1
SCHEMBL31662477 0.83 PRKAB2 (0.39) SCN9APLK4NTRK1RETMET
SCHEMBL31662635 0.80 SCN9A (0.48) SCN9ACACNA1HPDE1CMAOBMAOA
SCHEMBL31662426 0.79 CYP4A11 (0.44) SCN9ACACNA1HPDE1CNOTUM
SCHEMBL31662441 0.79 SCN9A (0.37) SCN9AMAPK14PLK4NTRK1RET
SCHEMBL31662169 0.79 SCN9A (0.44) SCN9ACACNA1HPDE1CMAOBNOTUM
SCHEMBL31662194 0.76 SCN9A (0.43) SCN9ACACNA1HPDE1CMAOANOTUM
SCHEMBL31662415 0.75 SCN9A (0.46) SCN9ACACNA1HPDE1CMAOBMAOA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed