SCHEMBL8517671

SCHEMBL8517671

CCC=C[C@H]1CC[C@H](CCc2cnc(-c3ccc(F)c(F)c3)nc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
GRIN2B Q13224 1/20 0.32
GRM2 Q14416 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
ACACB O00763 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8517669 1.00 NPY5R (0.35) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL9313186 1.00 NPY5R (0.35) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL9312682 0.92 NPY5R (0.34) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL8517593 0.92 NPY5R (0.34) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL8517592 0.92 NPY5R (0.34) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL8517590 0.92 NPY5R (0.34) NPY5RGRIN2BGRM2PDGFRBPDGFRA
SCHEMBL9311767 0.91 SLC5A2 (0.33) ACACB
SCHEMBL9313047 0.91 GRM2 (0.34) GRIN2BGRM2ACACB
SCHEMBL8517283 0.91 GRM2 (0.34) GRIN2BGRM2ACACB
SCHEMBL9311776 0.91 SLC5A2 (0.33) ACACB

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