SCHEMBL9346249

SCHEMBL9346249

CCCCCC1CCC(CCCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
SLC18A3 Q16572 1/20 0.49
KCNH2 Q12809 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
PLA2G6 O60733 1/20 0.44

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
SCHEMBL9346253 1.00 HRH3 (0.56) HRH3SLC18A3KCNH2SIGMAR1PLA2G6
SCHEMBL9156291 0.93 HRH3 (0.52) HRH3KCNH2SIGMAR1
SCHEMBL3628266 0.93 HRH3 (0.52) HRH3KCNH2SIGMAR1
SCHEMBL10946170 0.89 HRH3 (0.57) HRH3SLC18A3SIGMAR1PLA2G6
SCHEMBL10946184 0.89 HRH3 (0.57) HRH3SLC18A3SIGMAR1PLA2G6
SCHEMBL31490479 0.89 SLC18A3 (0.57) HRH3SLC18A3
SCHEMBL10715807 0.88 HRH3 (0.49) HRH3KCNH2SIGMAR1
SCHEMBL10715818 0.88 HRH3 (0.49) HRH3KCNH2SIGMAR1
SCHEMBL9344773 0.87 HRH3 (0.57) HRH3
SCHEMBL9346706 0.87 HRH3 (0.50) HRH3SLC18A3

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
EP-0393636-B1 Liquid crystal composition and liquid crystal display using said composition CHISSO CORP (JP) 1994-07-20 EP disclosed
US-5102577-A Supertwisted birefringence system CHISSO CORPORATION (JP) 1992-04-07 US disclosed
EP-0393636-A2 Liquid crystal composition and liquid crystal display using said composition CHISSO CORPORATION (JP) 1990-10-24 EP disclosed