SCHEMBL7206821

SCHEMBL7206821

N#Cc1cc(CCCCCc2ncc[nH]2)c(OCc2ccc(Cl)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.36
XDH P47989 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TBXAS1 P24557 2/20 0.34
MPO P05164 1/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP2 O95551 1/20 0.33
CSF1R P07333 1/20 0.32

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
SCHEMBL5597451 0.81 HTT (0.39) NAMPTTBXAS1MPOMAPTHTT
SCHEMBL5597308 0.78 NAMPT (0.36) NAMPTXDHNPC1RAB9ATBXAS1
SCHEMBL4642038 0.73 NAMPT (0.36) NAMPTNPC1RAB9ATBXAS1MPO
SCHEMBL4642071 0.73 LRRK2 (0.39) XDHNPC1RAB9AHTTKDM4E
SCHEMBL4642509 0.72 MRGPRX4 (0.42) MAPTKDM4ESLC6A4LMNASMN1; SMN2
SCHEMBL5597314 0.71 LRRK2 (0.37) XDHNPC1RAB9ATBXAS1HTT
SCHEMBL5597420 0.71 MRGPRX4 (0.40) MAPTKDM4ESLC6A4LMNASMN1; SMN2
SCHEMBL7206819 0.71 XDH (0.35) XDHNPC1RAB9AMAPTHTT
SCHEMBL11701063 0.66 TAAR1 (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL5597242 0.65 SLC6A4 (0.43) SLC6A4

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-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed