SCHEMBL7961107

SCHEMBL7961107

COC1=C(OC)C(=O)C2=C(CCC(CCOc3ccc4ccccc4n3)CC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
MCHR1 Q99705 2/20 0.36
FFAR1 O14842 1/20 0.35
MMP13 P45452 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL7972674 0.81 MEN1 (0.49) MEN1MAPTKMT2ADRD2DRD4
SCHEMBL7974758 0.81 HTR1A (0.39) IDO1
SCHEMBL7974787 0.78 TEAD1 (0.45) DRD2DRD4
SCHEMBL7971449 0.75 MAOB (0.44) MAPTDDB1CRBN
SCHEMBL7971414 0.74 PPARD (0.43)
SCHEMBL7974650 0.73 MGAT2 (0.42) MEN1KMT2A
SCHEMBL7974398 0.73 MAOB (0.39) DRD2DRD4DDB1CRBN
SCHEMBL7974962 0.72 MAOB (0.40)
SCHEMBL7974340 0.72 CHRNB2 (0.44) DRD2
SCHEMBL7974454 0.71 HRH3 (0.43) MEN1MAPTKMT2A

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
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed