SCHEMBL28936581

SCHEMBL28936581

CCOCC(NC(=O)OC(C)(C)C)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
PDE2A O00408 1/20 0.41
CTSK P43235 3/20 0.38
CTSS P25774 1/20 0.38
UGCG Q16739 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
FAAH O00519 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGB6 P18564 1/20 0.37
PPARA Q07869 1/20 0.36

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
SCHEMBL22952643 1.00 GABRB1 (0.43) GABRB1GABRB2GPR139PDE2ACTSK
SCHEMBL28706200 0.89 GPR139 (0.43) GABRB1GABRB2GPR139PDE2ACTSK
SCHEMBL22952693 0.89 GPR139 (0.43) GABRB1GABRB2GPR139PDE2ACTSK
SCHEMBL21272631 0.87 GPR139 (0.42) GABRB1GABRB2GPR139PDE2ACTSK
SCHEMBL29440427 0.87 GPR139 (0.42) GABRB1GABRB2GPR139PDE2ACTSK
SCHEMBL21272633 0.87 GPR139 (0.42) GABRB1GABRB2GPR139PDE2ACTSK
SCHEMBL29440442 0.86 GPR139 (0.45) GABRB1GABRB2GPR139PDE2ACTSK
SCHEMBL21272671 0.86 GPR139 (0.45) GABRB1GABRB2GPR139PDE2ACTSK
SCHEMBL21272669 0.86 GPR139 (0.45) GABRB1GABRB2GPR139PDE2ACTSK
SCHEMBL22952673 0.85 GPR139 (0.41) GABRB1GABRB2GPR139PDE2ACTSK

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
CN-114206830-A Alcohol derivatives as Kv7 potassium channel openers H.隆德贝克有限公司 2022-03-18 CN disclosed