SCHEMBL9312299

SCHEMBL9312299

CCC/C=C/[C@H]1CC[C@H](c2ccc(-c3ccc(Cl)cc3)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.45
MAOB P27338 3/20 0.45
DRD2 P14416 1/20 0.36
DGAT1 O75907 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
MCHR1 Q99705 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KLF5 Q13887 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9312303 1.00 KDM1A (0.45) KDM1AMAOBDRD2DGAT1L3MBTL1
SCHEMBL9718525 1.00 KDM1A (0.45) KDM1AMAOBDRD2DGAT1L3MBTL1
SCHEMBL8383468 0.91 KDM1A (0.47) KDM1AMAOBDRD2DGAT1PROKR1
SCHEMBL9313228 0.91 KDM1A (0.47) KDM1AMAOBDRD2DGAT1PROKR1
SCHEMBL9311451 0.87 RAB9A (0.38) KDM1AMAOBDRD2L3MBTL1SLC6A3
SCHEMBL8383599 0.87 RAB9A (0.38) KDM1AMAOBDRD2L3MBTL1SLC6A3
SCHEMBL8383595 0.87 RAB9A (0.38) KDM1AMAOBDRD2L3MBTL1SLC6A3
SCHEMBL9311454 0.87 RAB9A (0.38) KDM1AMAOBDRD2L3MBTL1SLC6A3
SCHEMBL9313837 0.85 KDM1A (0.39) KDM1AMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL8382002 0.85 KDM1A (0.39) KDM1AMAOBKDM4EALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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