SCHEMBL8007918

SCHEMBL8007918

CN(C)CCCOc1cc(C(=O)Nc2ccccc2F)n(Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MET P08581 3/20 0.47
NPSR1 Q6W5P4 3/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GUCY1B2 O75343 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL8008154 0.87 LMNA (0.47) NPC1RAB9AMETNPSR1ALDH1A1
SCHEMBL8008245 0.87 NPSR1 (0.48) METNPSR1ALDH1A1L3MBTL1MAPK1
SCHEMBL7999011 0.85 MET (0.51) METNPSR1MAPK1
SCHEMBL8013247 0.85 BRD4 (0.51) SMN1; SMN2METNPSR1ALDH1A1L3MBTL1
SCHEMBL8007462 0.83 CYP2D6 (0.50) NPC1METNPSR1ALDH1A1MAPK1
SCHEMBL8010517 0.83 NPSR1 (0.52) METNPSR1ALDH1A1L3MBTL1KMT2A
SCHEMBL7999906 0.83 GRN (0.55) SMN1; SMN2METALDH1A1KDM4EGUCY1B2
SCHEMBL8009905 0.82 MAPT (0.54) SMN1; SMN2METNPSR1KMT2AMEN1
SCHEMBL972626 0.82 NPSR1 (0.52) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL8007921 0.82 GRN (0.46) SMN1; SMN2METALDH1A1L3MBTL1KDM4E

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