SCHEMBL7694875

SCHEMBL7694875

CC(CCN)[S+]([O-])CCCCCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
SLC6A4 P31645 4/20 0.34
SLC6A2 P23975 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM1A O60341 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.33
LSS P48449 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CARM1 Q86X55 1/20 0.33

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
SCHEMBL7694873 0.80 NPC1 (0.38) NPC1RAB9AHTR1BSLC6A4SLC6A2
SCHEMBL7689434 0.80 NPC1 (0.38) NPC1RAB9AHTR1AHTR1DHTR1B
SCHEMBL7702938 0.77 HDAC1 (0.43) HTR1AHTR1DHTR1BSLC6A4SLC6A2
SCHEMBL7702048 0.75 HTR1A (0.39) NPC1RAB9AHTR1AHTR1DHTR1B
SCHEMBL7126896 0.73 AGXT (0.46) NPC1RAB9ASLC6A4SLC6A2NPSR1
SCHEMBL7697793 0.72 LMNA (0.42) SLC6A4SLC6A2NPSR1KDM1ALMNA
SCHEMBL7210942 0.72 NR5A1 (0.51) MAPT
SCHEMBL4749149 0.72 NR5A1 (0.51) MAPT
SCHEMBL4748690 0.72 NR5A1 (0.51) MAPT
SCHEMBL4745433 0.72 NR5A1 (0.51) MAPT

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-2002024619-A1 AMINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2002-03-28 WO disclosed