SCHEMBL8517878

SCHEMBL8517878

C/C=C/[C@H]1CC[C@H](CCc2cnc(-c3ccc(Cl)cc3)nc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CNR1 P21554 2/20 0.35
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
RARB P10826 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
FAAH O00519 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
SCHEMBL9312709 1.00 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1MAOB
SCHEMBL9312712 1.00 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1MAOB
SCHEMBL8517879 1.00 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1MAOB
SCHEMBL8517258 0.88 LMNA (0.35) LMNAPOLBSMN1; SMN2CNR1MAOB
SCHEMBL8517254 0.88 LMNA (0.35) LMNAPOLBSMN1; SMN2CNR1MAOB
SCHEMBL9311921 0.88 LMNA (0.35) LMNAPOLBSMN1; SMN2CNR1MAOB
SCHEMBL9312335 0.87 PDGFRB (0.32) CNR1NPC1RAB9APDGFRBPDGFRA
SCHEMBL9312309 0.87 PDGFRB (0.32) CNR1NPC1RAB9APDGFRBPDGFRA
SCHEMBL9312319 0.87 PDGFRB (0.32) CNR1NPC1RAB9APDGFRBPDGFRA
SCHEMBL9312325 0.87 PDGFRB (0.32) CNR1NPC1RAB9APDGFRBPDGFRA

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