SCHEMBL7945014

SCHEMBL7945014

C=C(NC(c1ccccc1)C1(N2CCCC2)CCC1)c1ccc(Cl)cc1CC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
NPC1 O15118 1/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
HDAC8 Q9BY41 2/20 0.33
KCNQ2 O43526 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 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
SCHEMBL7938683 0.87 MEN1 (0.39) SLC6A9MEN1KMT2ANPC1CNR1
SCHEMBL1349997 0.80 SLC6A9 (0.39) SLC6A9MEN1KMT2AGPR139
SCHEMBL1349461 0.79 SLC6A9 (0.43) SLC6A9MEN1KMT2ACNR1CNR2
SCHEMBL1350574 0.79 MEN1 (0.50) SLC6A9MEN1KMT2ACNR1CNR2
SCHEMBL1348525 0.77 SLC6A9 (0.45) SLC6A9MEN1KMT2AFLT1FLT4
SCHEMBL1349947 0.75 KLRK1 (0.41) SLC6A9KCNQ2
SCHEMBL1350491 0.74 SLC6A9 (0.48) SLC6A9MEN1KMT2A
SCHEMBL3261922 0.71 SLC6A9 (0.44) SLC6A9MEN1KMT2A
SCHEMBL3237489 0.70 SLC6A9 (0.50) SLC6A9CNR1CNR2
SCHEMBL7937623 0.69 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