SCHEMBL8448778

SCHEMBL8448778

FCC/C=C/[C@H]1CC[C@H](CCc2ccc(-c3ccc(Br)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
HTR2A P28223 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KCNH2 Q12809 1/20 0.31
MAOB P27338 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
SCHEMBL8448793 1.00 GPR84 (0.34) GPR84HTR2ATAAR1KCNH2MAOB
SCHEMBL8448780 1.00 GPR84 (0.34) GPR84HTR2ATAAR1KCNH2MAOB
SCHEMBL8448790 1.00 GPR84 (0.34) GPR84HTR2ATAAR1KCNH2MAOB
SCHEMBL8456396 0.92 HTR2A (0.33) HTR2ATAAR1KCNH2MAOB
SCHEMBL8456399 0.92 HTR2A (0.33) HTR2ATAAR1KCNH2MAOB
SCHEMBL8456387 0.92 HTR2A (0.33) HTR2ATAAR1KCNH2MAOB
SCHEMBL8456543 0.88 MAOB (0.41) GPR84TAAR1KCNH2MAOB
SCHEMBL8456548 0.88 MAOB (0.41) GPR84TAAR1KCNH2MAOB
SCHEMBL8456541 0.88 MAOB (0.41) GPR84TAAR1KCNH2MAOB
SCHEMBL8456549 0.88 MAOB (0.41) GPR84TAAR1KCNH2MAOB

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