SCHEMBL4740808

SCHEMBL4740808

O=C(c1cccnc1)N(Cc1ccc(N2CCC(CO)CC2)nc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
SMO Q99835 1/20 0.42
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
VNN1 O95497 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
RORC P51449 1/20 0.36

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
SCHEMBL4784363 0.99 SMO (0.43) SLC6A9SLC6A5SMOAGERMTNR1A
SCHEMBL4739773 0.88 SLC6A9 (0.45) SLC6A9SLC6A5SMOAGERMTNR1A
SCHEMBL4737202 0.87 SLC6A9 (0.43) SLC6A9SLC6A5SMOAGERMTNR1A
SCHEMBL3063852 0.83 SLC6A9 (0.41) SLC6A9SLC6A5L3MBTL1ALDH1A1RORC
SCHEMBL3058310 0.81 HRH3 (0.40) SLC6A9SLC6A5ALDH1A1RORC
SCHEMBL4735235 0.80 GAA (0.47) SMO
SCHEMBL4737580 0.80 AGER (0.51) AGERMTNR1ANPSR1L3MBTL1CHRM2
SCHEMBL4735222 0.79 SMO (0.40) SMOALDH1A1KLKB1KLK1
SCHEMBL4738735 0.78 AGER (0.49) AGERMTNR1ANPSR1L3MBTL1CHRM2
SCHEMBL4735133 0.77 DRD2 (0.45) SMOALDH1A1

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed