SCHEMBL2523973

SCHEMBL2523973

CCOC(C(=O)c1ccc(-c2cc(OC)c(Cl)c(OC)c2)o1)c1ccc(N2CCOCC2)cc1.CCOC(C(=O)c1ccc(-c2cc(OC)c(Cl)c(OC)c2)o1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.63
PDE2A O00408 1/20 0.63
PDE5A O76074 1/20 0.63
HIF1A Q16665 2/20 0.45
MAPT P10636 7/20 0.41
MTOR P42345 2/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL2386113 1.00 PDE10A (0.63) PDE10APDE2APDE5AHIF1AMAPT
SCHEMBL12258882 0.92 PDE10A (0.53) PDE10APDE2APDE5AHIF1AMAPT
SCHEMBL18905618 0.92 PDE10A (0.55) PDE10APDE2APDE5AHIF1AMAPT
SCHEMBL2388604 0.91 PDE10A (0.52) PDE10APDE2APDE5AHIF1AMAPT
SCHEMBL12258874 0.91 PDE10A (0.52) PDE10APDE2APDE5AHIF1AMAPT
SCHEMBL2386989 0.91 PDE10A (0.51) PDE10APDE2APDE5AHIF1AMAPT
SCHEMBL2386734 0.84 MAPT (0.45) PDE10APDE2APDE5AHIF1AMAPT
SCHEMBL12258862 0.82 MTOR (0.52) PDE10APDE2APDE5AHIF1AMAPT
SCHEMBL12258820 0.82 MAPT (0.51) PDE10APDE2APDE5AHIF1AMAPT
SCHEMBL18905617 0.82 HIF1A (0.48) PDE10APDE2APDE5AHIF1AMAPT

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-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed