SCHEMBL8517281

SCHEMBL8517281

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.35
TGFBR1 P36897 4/20 0.34
TGFBR2 P37173 3/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
ACACB O00763 1/20 0.32
CNR1 P21554 1/20 0.32
AXL P30530 1/20 0.32
HTR2A P28223 1/20 0.31
MDM2 Q00987 1/20 0.31
KCNH2 Q12809 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
AVPR1B P47901 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
NISCH Q9Y2I1 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 0.92 ACACB (0.32) ACACBKCNH2PDGFRBPDGFRACYP11B1
SCHEMBL8517352 0.90 PDGFRB (0.32) CNR1KCNH2PDGFRBPDGFRACNR2
SCHEMBL8517670 0.90 NPY5R (0.34) GRM2ACACBPDGFRBPDGFRAGRIN1
SCHEMBL9311826 0.87 GRM2 (0.35) GRM2TGFBR1TGFBR2CHRNB1CHRNB2
SCHEMBL9311817 0.87 GRM2 (0.35) GRM2TGFBR1TGFBR2CHRNB1CHRNB2
SCHEMBL9311812 0.87 GRM2 (0.35) GRM2TGFBR1TGFBR2CHRNB1CHRNB2
SCHEMBL9311832 0.87 GRM2 (0.35) GRM2TGFBR1TGFBR2CHRNB1CHRNB2
SCHEMBL8517255 0.87 LMNA (0.36) CNR1PDGFRBPDGFRA
SCHEMBL8380288 0.86 CHRNB1 (0.35) GRM2TGFBR1TGFBR2CHRNB1CHRNB2
SCHEMBL8517279 0.83 GRM2 (0.34) GRM2TGFBR1TGFBR2CHRNB1CHRNB2

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