SCHEMBL9631940

SCHEMBL9631940

CCCCOc1ccc([C@H]2CC[C@H](C(C)C3CCC(CC)CC3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
FFAR1 O14842 5/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
PPARG P37231 1/20 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
SCHEMBL9632437 0.97 SCN9A (0.32) SCN9AHTR1DHTR1BALOX5APFEN1
SCHEMBL9631110 0.95 CNR1 (0.32) SCN9AHTR1DHTR1B
SCHEMBL9631259 0.94 HTR2C (0.33) FFAR1HTR1DHTR1BALOX5APFEN1
SCHEMBL9630480 0.92 SCN9A (0.34) SCN9AFFAR1HTR1DHTR1BALOX5AP
SCHEMBL9631496 0.92 SCN9A (0.34) SCN9AFFAR1HTR1DHTR1BALOX5AP
SCHEMBL25693792 0.92 SCN9A (0.38) SCN9AHTR1DHTR1BALOX5APFEN1
SCHEMBL9631956 0.91 SCN9A (0.33) SCN9AFFAR1HTR1DHTR1BPPARG
SCHEMBL9630254 0.90 TRPV3 (0.33) FFAR1ALOX5APFEN1
SCHEMBL9630350 0.90 GAA (0.33) SCN9AFFAR1PPARG
SCHEMBL9631117 0.89 PPARG (0.33) SCN9AHTR1DHTR1BPPARG

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
EP-0364538-B1 DIFLUOROBENZOL DERIVATIVES MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed