SCHEMBL7938683

SCHEMBL7938683

C=C(NC(c1ccccc1)C1(N2CCCC2)CCC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CNR1 P21554 8/20 0.38
CNR2 P34972 8/20 0.38
SLC6A9 P48067 4/20 0.37
ALDH1A1 P00352 1/20 0.37
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL1350574 0.87 MEN1 (0.50) MEN1KMT2ACNR1CNR2SLC6A9
SCHEMBL7945014 0.87 SLC6A9 (0.34) MEN1KMT2ACNR1CNR2SLC6A9
SCHEMBL1349461 0.79 SLC6A9 (0.43) MEN1KMT2ACNR1CNR2SLC6A9
SCHEMBL3261922 0.77 SLC6A9 (0.44) MEN1KMT2ASLC6A9ALDH1A1
SCHEMBL1348525 0.76 SLC6A9 (0.45) MEN1KMT2ASLC6A9ALDH1A1
SCHEMBL1350491 0.76 SLC6A9 (0.48) MEN1KMT2ASLC6A9
SCHEMBL1349997 0.76 SLC6A9 (0.39) MEN1KMT2ASLC6A9
SCHEMBL3237489 0.76 SLC6A9 (0.50) CNR1CNR2SLC6A9ALDH1A1
SCHEMBL4355395 0.72 SLC6A9 (0.44) KMT2ASLC6A9ALDH1A1ATM
SCHEMBL7937623 0.71 TACR1 (0.32) SLC6A9NPC1

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-2010020548-A1 GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-25 WO disclosed