SCHEMBL11533130

SCHEMBL11533130

CCOC(=O)N1CCN(C2=Nc3ccccc3Nc3ccsc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
HTR1A P08908 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
CHRM1 P11229 5/20 0.43
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42

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
SCHEMBL11527558 0.86 CHRM1 (0.49) MEN1KMT2AMAPK1MAPTKDM4E
SCHEMBL11533102 0.82 KMT2A (0.57) MEN1KMT2AMAPK1MAPTKDM4E
SCHEMBL11535917 0.81 DRD2 (0.67) MEN1KMT2AMAPK1MAPTPOLB
SCHEMBL8234788 0.78 CHRM1 (0.69) MEN1KMT2AMAPK1MAPTKDM4E
SCHEMBL11528817 0.77 DRD2 (0.54) MEN1KMT2AMAPK1KDM4EDRD2
Hydrochloric Acid SCHEMBL11531195 0.76 DRD2 (0.48) DRD2DRD4CHRM1HRH1HRH2
SCHEMBL11532513 0.76 HRH4 (0.49) MEN1KMT2AMAPK1DRD2DRD4
SCHEMBL11529194 0.75 MEN1 (0.49) MEN1KMT2AMAPTPOLBDRD2
SCHEMBL5477914 0.74 DRD2 (0.67) MEN1KMT2AMAPK1MAPTKDM4E
SCHEMBL5946395 0.70 MAPT (0.67) MEN1KMT2AMAPK1MAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed