SCHEMBL8517352

SCHEMBL8517352

C/C=C/CC1CCC(CCc2cnc(-c3ccc(Cl)c(Cl)c3)nc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.32
PDGFRA P16234 2/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HRH1 P35367 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MAPK10 P53779 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL9311774 0.90 ACACB (0.32) PDGFRBPDGFRAKCNH2
SCHEMBL8517281 0.90 GRM2 (0.35) PDGFRBPDGFRAKCNH2CNR1CNR2
SCHEMBL8517255 0.87 LMNA (0.36) PDGFRBPDGFRANPC1RAB9ACNR1
SCHEMBL9312325 0.86 PDGFRB (0.32) PDGFRBPDGFRAKCNH2SLC6A3HRH1
SCHEMBL9312309 0.86 PDGFRB (0.32) PDGFRBPDGFRAKCNH2SLC6A3HRH1
SCHEMBL9312335 0.86 PDGFRB (0.32) PDGFRBPDGFRAKCNH2SLC6A3HRH1
SCHEMBL9312319 0.86 PDGFRB (0.32) PDGFRBPDGFRAKCNH2SLC6A3HRH1
SCHEMBL8381991 0.85 S1PR3 (0.36) PDGFRBPDGFRAKCNH2SLC6A3HRH1
SCHEMBL8517670 0.84 NPY5R (0.34) PDGFRBPDGFRA
SCHEMBL9312631 0.82 PDGFRB (0.31) PDGFRBPDGFRAKCNH2HRH1

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-0475273-B1 Liquid crystal mixture containing halogenated alcenyl compounds MERCK PATENT GMBH (DE) 1999-04-07 EP disclosed
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0475273-A1 Halogenated alcenyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 EP disclosed