SCHEMBL16638477

SCHEMBL16638477

CCc1ccc(CCC2CCC(C)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.36
HTR2A P28223 6/20 0.35
HTR2C P28335 6/20 0.35
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL19195105 0.93 CEL (0.36) CELHTR2AHTR2CMAOBMAOA
SCHEMBL12739649 0.90 OPRL1 (0.33) CELHTR2AHTR2C
SCHEMBL12734812 0.90 OPRL1 (0.33) CELHTR2AHTR2C
SCHEMBL19195164 0.88 HTR2A (0.36) CELHTR2AHTR2CMAOBMAOA
SCHEMBL3437336 0.88 CYP2C9 (0.39) CELHTR2AHTR2CMAOBMAOA
SCHEMBL20346127 0.88 CEL (0.36) CELHTR2AHTR2CMAOBMAOA
SCHEMBL20342295 0.87 HTR2A (0.32) CELHTR2AHTR2CMAOBMAOA
SCHEMBL15180790 0.87 HTR2A (0.35) CELHTR2AHTR2CMAOBMAOA
SCHEMBL30200 0.85 HTR2A (0.32) CELHTR2AHTR2CMAOBMAOA
SCHEMBL803107 0.85 HTR2A (0.32) CELHTR2AHTR2CMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251576-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-09-01 US disclosed
US-20160122650-A1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2016-05-05 US disclosed
US-20150299570-A1 LIQUID CRYSTAL COMPOSITION COMPRISING POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2015-10-22 US disclosed
US-9005477-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2015-04-14 US disclosed