SCHEMBL14765683

SCHEMBL14765683

C=CCCOc1ccc(C2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
TPH1 P17752 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HCRTR2 O43614 4/20 0.31
SCN9A Q15858 1/20 0.31
HPGD P15428 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
SCHEMBL14765898 0.93 KDM1A (0.34) KDM1ASCN9A
SCHEMBL14765876 0.93 NAAA (0.35) KDM1A
SCHEMBL14766048 0.93 SCN9A (0.36) KDM1AGABRA1GABRB2SCN9A
SCHEMBL14766001 0.90 KDM1A (0.39) KDM1AHCRTR2
SCHEMBL14765987 0.90 HPGD (0.36) KDM1ATPH1HCRTR2SCN9AHPGD
SCHEMBL14765724 0.90 KDM1A (0.32) KDM1AHPGD
SCHEMBL14765723 0.90 KDM1A (0.32) KDM1A
SCHEMBL14766529 0.89 TPH1 (0.33) KDM1ATPH1HCRTR2SCN9A
SCHEMBL12733750 0.89 KDM1A (0.35) KDM1ATPH1SCN9AHPGD
SCHEMBL14765673 0.89 GABRA1 (0.33) GABRA1GABRB2HCRTR2SCN9A

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