SCHEMBL28700451

SCHEMBL28700451

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
EPHX1 P07099 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PLA2G10 O15496 2/20 0.38
PLA2G2A P14555 2/20 0.38
PLA2G5 P39877 2/20 0.38
PDE2A O00408 1/20 0.38

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
SCHEMBL28700452 1.00 TRPM8 (0.43) TRPM8L3MBTL1GPR139EPHX1MRGPRX4
SCHEMBL28700421 0.88 TRPM8 (0.42) TRPM8L3MBTL1GPR139EPHX1PLA2G10
SCHEMBL28700420 0.88 TRPM8 (0.42) TRPM8L3MBTL1GPR139EPHX1PLA2G10
SCHEMBL28706206 0.86 TRPM8 (0.46) TRPM8GPR139EPHX1
SCHEMBL28706208 0.86 TRPM8 (0.46) TRPM8GPR139EPHX1
SCHEMBL18045497 0.84 EPHX1 (0.43) EPHX1MRGPRX4PDE2A
SCHEMBL28712855 0.84 TRPM8 (0.44) TRPM8GPR139EPHX1
SCHEMBL28712857 0.84 TRPM8 (0.44) TRPM8GPR139EPHX1
SCHEMBL28706199 0.83 GPR139 (0.41) TRPM8GPR139MRGPRX4PDE2A
SCHEMBL28715411 0.81 TRPM8 (0.43) TRPM8GPR139EPHX1

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