SCHEMBL28700428

SCHEMBL28700428

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.41
VNN1 O95497 1/20 0.39
UGCG Q16739 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLS O94925 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
CETP P11597 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
SCHEMBL28715382 0.91 GPR139 (0.42) GPR139VNN1UGCGKDM4ETP53
SCHEMBL28719378 0.87 GPR139 (0.40) GPR139VNN1UGCGKDM4ETP53
SCHEMBL28715439 0.87 GPR139 (0.41) GPR139VNN1UGCGKDM4ETP53
SCHEMBL28706199 0.86 GPR139 (0.41) GPR139VNN1UGCGKDM4ETP53
SCHEMBL28711084 0.84 KDM4E (0.41) GPR139VNN1UGCGKDM4ETP53
SCHEMBL28936580 0.84 GPR139 (0.39) GPR139VNN1UGCGKDM4ETP53
SCHEMBL27955103 0.82 MAPT (0.44) HPGDSMN1; SMN2
SCHEMBL28712857 0.82 TRPM8 (0.44) GPR139TRPM8
SCHEMBL28712855 0.82 TRPM8 (0.44) GPR139TRPM8
SCHEMBL27836333 0.81 SLC6A2 (0.40) SMN1; SMN2

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