SCHEMBL8517726

SCHEMBL8517726

O=C[C@H]1CC[C@H](CCc2ccc(-c3ccc(Cl)c(Cl)c3)nc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
P2RX7 Q99572 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TP53 P04637 2/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMO O15229 5/20 0.34
DGAT1 O75907 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KLF5 Q13887 1/20 0.32
KCNH2 Q12809 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL9312540 1.00 GRM2 (0.37) GRM2P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL9312495 0.90 GRM2 (0.39) GRM2P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL9312852 0.90 GRM2 (0.48) GRM2SMN1; SMN2NPC1RAB9ATP53
SCHEMBL8518042 0.90 GRM2 (0.48) GRM2SMN1; SMN2NPC1RAB9ATP53
SCHEMBL8518216 0.90 GRM2 (0.39) GRM2P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL8518416 0.89 GRM2 (0.35) GRM2P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL8518415 0.89 GRM2 (0.35) GRM2P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL8518093 0.87 MAOB (0.39) GRM2SMN1; SMN2NPC1RAB9ATP53
SCHEMBL9311883 0.87 MAOB (0.39) GRM2SMN1; SMN2NPC1RAB9ATP53
SCHEMBL8517941 0.87 GRM2 (0.36) GRM2P2RX7SMN1; SMN2NPC1RAB9A

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