SCHEMBL29440441

SCHEMBL29440441

CCOC[C@H](NC(=O)CC(=O)C(C)(C)C)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.44
PDE2A O00408 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGAV P06756 2/20 0.40
ITGB5 P18084 2/20 0.40
ITGB6 P18564 2/20 0.40
UGCG Q16739 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ITGB8 P26012 1/20 0.37
VNN1 O95497 1/20 0.36
MME P08473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL22952766 1.00 GPR139 (0.44) GPR139PDE2AITGB3ITGAVITGB5
SCHEMBL28709108 1.00 GPR139 (0.44) GPR139PDE2AITGB3ITGAVITGB5
SCHEMBL21272729 0.89 GPR139 (0.45) GPR139PDE2AITGB3ITGAVITGB5
SCHEMBL21272728 0.89 GPR139 (0.45) GPR139PDE2AITGB3ITGAVITGB5
SCHEMBL29589674 0.89 GPR139 (0.45) GPR139PDE2AITGB3ITGAVITGB5
SCHEMBL21272605 0.89 PDE2A (0.48) GPR139PDE2AITGB3ITGAVITGB5
SCHEMBL21272603 0.89 PDE2A (0.48) GPR139PDE2AITGB3ITGAVITGB5
SCHEMBL21272738 0.87 GPR139 (0.44) GPR139PDE2AITGB3ITGAVITGB5
SCHEMBL22953247 0.87 GPR139 (0.44) GPR139PDE2AITGB3ITGAVITGB5
SCHEMBL21272741 0.87 GPR139 (0.44) GPR139PDE2AITGB3ITGAVITGB5

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
CN-114206830-B Alcohol derivatives as Kv7 potassium channel openers H.隆德贝克有限公司 2024-07-30 CN disclosed
EP-4007634-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2022-06-08 EP disclosed
CN-114206830-A Alcohol derivatives as Kv7 potassium channel openers H.隆德贝克有限公司 2022-03-18 CN disclosed