SCHEMBL8518093

SCHEMBL8518093

O=C[C@H]1CC[C@H](CCc2ccc(-c3ccc(Cl)cc3)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
KDM1A O60341 1/20 0.39
GRM2 Q14416 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
TP53 P04637 1/20 0.37
HTR2C P28335 2/20 0.37
KCNH2 Q12809 2/20 0.37
MCHR1 Q99705 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MITF O75030 1/20 0.36
KLF5 Q13887 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9311883 1.00 MAOB (0.39) MAOBKDM1AGRM2SMN1; SMN2RAB9A
SCHEMBL8517996 0.88 MAOB (0.39) MAOBKDM1AGRM2SMN1; SMN2RAB9A
SCHEMBL8517992 0.88 MAOB (0.39) MAOBKDM1AGRM2SMN1; SMN2RAB9A
SCHEMBL8518726 0.88 CYP11B1 (0.40) MAOBSMN1; SMN2RAB9ANPC1TP53
SCHEMBL9312701 0.88 CYP11B1 (0.40) MAOBSMN1; SMN2RAB9ANPC1TP53
SCHEMBL8517726 0.87 GRM2 (0.37) GRM2SMN1; SMN2RAB9ANPC1TP53
SCHEMBL9312540 0.87 GRM2 (0.37) GRM2SMN1; SMN2RAB9ANPC1TP53
SCHEMBL9312852 0.87 GRM2 (0.48) GRM2SMN1; SMN2RAB9ANPC1TP53
SCHEMBL8518042 0.87 GRM2 (0.48) GRM2SMN1; SMN2RAB9ANPC1TP53
SCHEMBL8517788 0.86 RAB9A (0.37) MAOBKDM1AGRM2SMN1; SMN2RAB9A

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