SCHEMBL19985252

SCHEMBL19985252

CC/C=C\CC1CCC(C2CCC(c3ccc(OCCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL19985229 0.97 SCN9A (0.31) SCN9A
SCHEMBL19985256 0.96 CNR1 (0.32) SCN9A
SCHEMBL19985258 0.96 CNR1 (0.32) SCN9A
SCHEMBL19985231 0.96 CNR1 (0.32) SCN9A
SCHEMBL19985254 0.96 CNR1 (0.32) SCN9A
SCHEMBL19985244 0.94 HTR2C (0.32)
SCHEMBL19985557 0.92 SCN9A (0.33) SCN9A
SCHEMBL19985250 0.91 SCN9A (0.33) SCN9AHTR1DHTR1B
SCHEMBL19985233 0.91 KDM1A (0.30)
SCHEMBL19985559 0.89 FPR2 (0.31) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed