SCHEMBL28706199

SCHEMBL28706199

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
UGCG Q16739 1/20 0.38
PDE2A O00408 2/20 0.38
KDM4E B2RXH2 1/20 0.38
VNN1 O95497 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL28936580 0.89 GPR139 (0.39) GPR139UGCGPDE2AKDM4EVNN1
SCHEMBL28711084 0.89 KDM4E (0.41) GPR139UGCGPDE2AKDM4EVNN1
SCHEMBL28715382 0.88 GPR139 (0.42) GPR139UGCGKDM4EVNN1TP53
SCHEMBL28700428 0.86 GPR139 (0.41) GPR139UGCGKDM4EVNN1TP53
SCHEMBL28715439 0.84 GPR139 (0.41) GPR139UGCGKDM4EVNN1TP53
SCHEMBL28700452 0.83 TRPM8 (0.43) GPR139MRGPRX4PDE2ATRPM8
SCHEMBL28700451 0.83 TRPM8 (0.43) GPR139MRGPRX4PDE2ATRPM8
SCHEMBL28719378 0.83 GPR139 (0.40) GPR139UGCGKDM4EVNN1TP53
SCHEMBL28700426 0.78 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL22952693 0.76 GPR139 (0.43) GPR139UGCGPDE2A

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