SCHEMBL8517258

SCHEMBL8517258

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CNR1 P21554 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 1/20 0.33
RARB P10826 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
SLC6A3 Q01959 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL9311921 1.00 LMNA (0.35) LMNAPOLBSMN1; SMN2CNR1NPC1
SCHEMBL8517254 1.00 LMNA (0.35) LMNAPOLBSMN1; SMN2CNR1NPC1
SCHEMBL8517490 0.91 SMN1; SMN2 (0.34) LMNAPOLBSMN1; SMN2CNR1NPC1
SCHEMBL8517492 0.91 SMN1; SMN2 (0.34) LMNAPOLBSMN1; SMN2CNR1NPC1
SCHEMBL9311978 0.91 SMN1; SMN2 (0.34) LMNAPOLBSMN1; SMN2CNR1NPC1
SCHEMBL8517493 0.91 SMN1; SMN2 (0.34) LMNAPOLBSMN1; SMN2CNR1NPC1
SCHEMBL9312712 0.88 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1NPC1
SCHEMBL8517878 0.88 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1NPC1
SCHEMBL8517879 0.88 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1NPC1
SCHEMBL9312709 0.88 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1NPC1

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