SCHEMBL8517670

SCHEMBL8517670

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
GRIN2B Q13224 2/20 0.33
GRM2 Q14416 1/20 0.32
PDGFRB P09619 2/20 0.32
PDGFRA P16234 2/20 0.32
CACNA1H O95180 1/20 0.32
ACACB O00763 1/20 0.32
GRIN1 Q05586 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
SCHEMBL8517281 0.90 GRM2 (0.35) GRIN2BGRM2PDGFRBPDGFRAACACB
SCHEMBL9311774 0.90 ACACB (0.32) PDGFRBPDGFRAACACB
SCHEMBL8517439 0.87 NPC1 (0.45) GRIN2BGRM2CACNA1H
SCHEMBL9311961 0.86 GRIN2B (0.33) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL9311965 0.86 GRIN2B (0.33) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL9311955 0.86 GRIN2B (0.33) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL9311947 0.86 GRIN2B (0.33) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL9646838 0.86 GRIN2B (0.34) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL9646834 0.86 GRIN2B (0.34) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL8517255 0.85 LMNA (0.36) PDGFRBPDGFRA

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