SCHEMBL28706200

SCHEMBL28706200

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
PDE2A O00408 7/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
UGCG Q16739 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL22952693 1.00 GPR139 (0.43) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL28936581 0.89 GABRB1 (0.43) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL29440427 0.89 GPR139 (0.42) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL22952643 0.89 GABRB1 (0.43) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL21272633 0.89 GPR139 (0.42) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL21272631 0.89 GPR139 (0.42) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL29440442 0.88 GPR139 (0.45) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL21272669 0.88 GPR139 (0.45) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL21272671 0.88 GPR139 (0.45) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL22952673 0.87 GPR139 (0.41) GPR139GABRB1GABRB2PDE2ACTSS

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