SCHEMBL22277344

SCHEMBL22277344

CCCc1ccc(C2CCC(C3CCC(OCC4CCC(CCC)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.36
HCRTR2 O43614 6/20 0.33
CYP2C9 P11712 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
SCHEMBL22277220 1.00 GPR119 (0.36) GPR119HCRTR2CYP2C9
SCHEMBL22277219 0.93 GPR119 (0.34) GPR119HCRTR2
SCHEMBL22277345 0.93 GPR119 (0.34) GPR119HCRTR2
SCHEMBL22277184 0.90 GPR119 (0.33) GPR119HCRTR2
SCHEMBL22277609 0.90 GPR119 (0.33) GPR119HCRTR2
SCHEMBL18779822 0.89 CYP2C9 (0.36) CYP2C9
SCHEMBL12197390 0.89 GPR119 (0.35) GPR119HCRTR2
SCHEMBL12197428 0.89 GPR119 (0.35) GPR119HCRTR2
SCHEMBL22277191 0.88 CYP2C9 (0.35) CYP2C9
SCHEMBL22277500 0.88 CYP2C9 (0.35) CYP2C9

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