SCHEMBL15316631

SCHEMBL15316631

CCCCCC1CCC(C2C=CC(C3CCC(COc4ccc(C)c(F)c4F)CC3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.32
GRM2 Q14416 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 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
SCHEMBL15316526 0.93
SCHEMBL15316632 0.92 RIPK1 (0.33) RIPK1HTR2AHTR2CHTR2B
SCHEMBL15445822 0.92 RIPK1 (0.35) RIPK1GRM2HTR2AHTR2CHTR2B
SCHEMBL15316567 0.92
SCHEMBL26277359 0.88 RIPK1 (0.35) RIPK1GRM2HTR2AHTR2CHTR2B
SCHEMBL25693778 0.88 RIPK1 (0.35) RIPK1GRM2HTR2AHTR2CHTR2B
SCHEMBL15316629 0.87 RIPK1 (0.30) RIPK1
SCHEMBL15316635 0.86 RIPK1 (0.30) RIPK1
SCHEMBL10022009 0.86 RIPK1 (0.30) RIPK1
SCHEMBL15316566 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090825-B2 Cyclohexene-3,6-diyl compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-07-28 US disclosed
US-8956552-B2 Cyclohexene-3,6-diyl compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-02-17 US disclosed
US-20130270480-A1 CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION 2013-10-17 US disclosed