SCHEMBL4735133

SCHEMBL4735133

O=C(c1cccnc1)N(Cc1ccc(N2CCN(c3ccccn3)CC2)nc1)C1Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 1/20 0.45
HTR1A P08908 3/20 0.44
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
SMO Q99835 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 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
SCHEMBL4737950 0.93 POLB (0.42) DRD2DRD4HTR1ASMOALDH1A1
SCHEMBL4738777 0.89 MAPT (0.44) DRD4DRD3HTR1AHTR2AALDH1A1
SCHEMBL4737202 0.82 SLC6A9 (0.43) HTR2ASMOALDH1A1KDM4EPOLB
SCHEMBL4739773 0.81 SLC6A9 (0.45) HTR2ASMOALDH1A1KDM4EPOLB
SCHEMBL4735222 0.79 SMO (0.40) HTR2ASMOALDH1A1KDM4ESMN1; SMN2
SCHEMBL4784363 0.78 SMO (0.43) SMOALDH1A1
SCHEMBL4739086 0.78 TSHR (0.52) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL4740808 0.77 SLC6A9 (0.44) SMOALDH1A1
SCHEMBL3823818 0.74 AGER (0.48) DRD2HTR1AHTR2ASMOALDH1A1
SCHEMBL25911207 0.71 OPRM1 (0.47) ALDH1A1MAPTKDM4EPOLBRAB9A

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