SCHEMBL4739773

SCHEMBL4739773

CN1CCN(c2ccc(CN(C(=O)c3cccnc3)C3CCCCC3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
HTR6 P50406 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ITK Q08881 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMO Q99835 1/20 0.41
AGER Q15109 3/20 0.40
MTNR1A P48039 1/20 0.40
HTR2A P28223 1/20 0.40
ACKR3 P25106 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4737202 0.99 SLC6A9 (0.43) SLC6A9SLC6A5HTR6ALDH1A1KDM4E
SCHEMBL4735222 0.90 SMO (0.40) ALDH1A1KDM4ESMOHTR2ACYP1A2
SCHEMBL3823818 0.89 AGER (0.48) SLC6A9SLC6A5ALDH1A1KDM4ESMO
SCHEMBL4737950 0.89 POLB (0.42) ALDH1A1KDM4ESMOCYP1A2CYP3A4
SCHEMBL4740808 0.88 SLC6A9 (0.44) SLC6A9SLC6A5ALDH1A1NPSR1L3MBTL1
SCHEMBL4784363 0.87 SMO (0.43) SLC6A9SLC6A5ALDH1A1NPSR1L3MBTL1
SCHEMBL8179598 0.85 HTR2A (0.57) SLC6A9SLC6A5ALDH1A1NPSR1L3MBTL1
SCHEMBL3827281 0.84 AGER (0.54) SLC6A9SLC6A5L3MBTL1AGERMTNR1A
SCHEMBL3066199 0.83 DRD2 (0.43) SLC6A9SLC6A5HTR6L3MBTL1SMO
SCHEMBL3827832 0.83 AGER (0.53) SLC6A9SLC6A5L3MBTL1AGERMTNR1A

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