SCHEMBL6662147

SCHEMBL6662147

CCCc1ccc(CCOC(F)(F)c2ccc([C@H]3CC[C@H](CCC)CC3)c(F)c2F)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP2C9 P11712 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
SCHEMBL6665200 0.94 CYP2C9 (0.39) HRH3CYP2C9
SCHEMBL6660750 0.93 HRH3 (0.32) OPRL1HRH3MAOAMAOB
SCHEMBL6663883 0.93 SPHK1 (0.36) HRH3
SCHEMBL6666669 0.91 CYP2C9 (0.37) CYP2C9
SCHEMBL6666335 0.91 CYP2C9 (0.37) CYP2C9
SCHEMBL6666562 0.90 CYP2C9 (0.36) CYP2C9
SCHEMBL6662118 0.90 CYP2C9 (0.36) CYP2C9
SCHEMBL6665322 0.89 OPRL1 (0.31) OPRL1
SCHEMBL6667374 0.89 OPRL1 (0.31) OPRL1
SCHEMBL6665024 0.89 SPHK1 (0.38) HRH3CYP2C9

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
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed