SCHEMBL22277366

SCHEMBL22277366

C=CC1CCC(C2CCC(COC3CCC(c4ccc(OCCCC)c(F)c4F)CC3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.33
SCN9A Q15858 1/20 0.32
HCRTR2 O43614 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
SCHEMBL22277440 0.92 GPR119 (0.35) GPR119HCRTR2
SCHEMBL22277459 0.92 GPR119 (0.35) GPR119HCRTR2
SCHEMBL22277528 0.92 GPR119 (0.35) GPR119HCRTR2
SCHEMBL22277633 0.92 GPR119 (0.35) GPR119HCRTR2
SCHEMBL14922688 0.92 GPR119 (0.37) GPR119SCN9AHCRTR2
SCHEMBL14922630 0.92 GPR119 (0.37) GPR119SCN9AHCRTR2
SCHEMBL15681355 0.91 SCN9A (0.35) SCN9A
SCHEMBL22277544 0.90 GPR119 (0.32) GPR119SCN9AHCRTR2
SCHEMBL22277498 0.90 SCN9A (0.32) SCN9A
SCHEMBL14922632 0.90 GPR119 (0.36) GPR119SCN9AHCRTR2

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-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed