SCHEMBL8008154

SCHEMBL8008154

CN(C)CCCOc1cc(C(=O)Nc2ccc(F)cc2Cl)n(Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 6/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MET P08581 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GUCY1B2 O75343 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL8007918 0.87 NPC1 (0.47) KMT2AMEN1NPC1RAB9ANPSR1
SCHEMBL7999011 0.86 MET (0.51) NPSR1METMAPK1MAPTHTR1E
SCHEMBL8008245 0.85 NPSR1 (0.48) NPSR1ALDH1A1L3MBTL1METMAPK1
SCHEMBL8008159 0.83 GRN (0.43) LMNAKMT2AMEN1METKDM4E
SCHEMBL8013247 0.82 BRD4 (0.51) NPSR1ALDH1A1L3MBTL1METMAPK1
SCHEMBL8008150 0.82 GRN (0.41) LMNAKMT2AMEN1METKDM4E
SCHEMBL8009905 0.81 MAPT (0.54) KMT2AMEN1NPSR1METMAPK1
SCHEMBL8007462 0.80 CYP2D6 (0.50) LMNANPC1NPSR1ALDH1A1MET
SCHEMBL8010517 0.80 NPSR1 (0.52) KMT2AMEN1NPSR1ALDH1A1L3MBTL1
SCHEMBL7999906 0.80 GRN (0.55) ALDH1A1METKDM4EGUCY1B2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed