SCHEMBL14765760

SCHEMBL14765760

C=CCOc1ccc(C2CCC(CCc3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.35
HTR2A P28223 5/20 0.35
HTR2B P41595 4/20 0.34
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 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
SCHEMBL14766805 1.00 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1ALDH1A1
SCHEMBL14766438 0.91
SCHEMBL14765893 0.91
SCHEMBL14765886 0.91 KDM1A (0.33) HTR2CHTR2AHTR2B
SCHEMBL12739687 0.90 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL12734900 0.90 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL14766388 0.89 HCRTR2 (0.31)
SCHEMBL14765907 0.89 HCRTR2 (0.31)
SCHEMBL10302065 0.89 HTR2C (0.35) HTR2CHTR2AHTR2B
SCHEMBL14765795 0.88 HTR2C (0.41) HTR2CHTR2AHTR2BMEN1ALDH1A1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed