SCHEMBL8453233

SCHEMBL8453233

N#Cc1ccc(-c2ccc(C3CCC(C/C=C/CCCF)CC3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.37
HRH2 P25021 7/20 0.37
HRH1 P35367 7/20 0.37
SIGMAR1 Q99720 2/20 0.37
KCNH2 Q12809 1/20 0.36
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
P2RY14 Q15391 1/20 0.32
USP30 Q70CQ3 1/20 0.32
HSD11B1 P28845 1/20 0.31
KIF11 P52732 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
SCHEMBL8453229 1.00 HRH3 (0.37) HRH3HRH2HRH1SIGMAR1KCNH2
SCHEMBL8453238 1.00 HRH3 (0.37) HRH3HRH2HRH1SIGMAR1KCNH2
SCHEMBL8453236 1.00 HRH3 (0.37) HRH3HRH2HRH1SIGMAR1KCNH2
SCHEMBL8449168 0.96 SIGMAR1 (0.39) HRH3HRH2HRH1SIGMAR1KCNH2
SCHEMBL8449179 0.96 SIGMAR1 (0.39) HRH3HRH2HRH1SIGMAR1KCNH2
SCHEMBL8449172 0.96 SIGMAR1 (0.39) HRH3HRH2HRH1SIGMAR1KCNH2
SCHEMBL8449183 0.96 SIGMAR1 (0.39) HRH3HRH2HRH1SIGMAR1KCNH2
SCHEMBL8456540 0.89 SIGMAR1 (0.36) HRH3HRH2HRH1SIGMAR1GRIA1
SCHEMBL8456527 0.89 SIGMAR1 (0.36) HRH3HRH2HRH1SIGMAR1GRIA1
SCHEMBL8456530 0.89 SIGMAR1 (0.36) HRH3HRH2HRH1SIGMAR1GRIA1

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
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed