SCHEMBL30457967

SCHEMBL30457967

CS(=O)(=O)Nc1ccn(C(=O)N2CCC(Oc3cccc(C(F)(F)F)c3-c3nnco3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.42
MGLL Q99685 2/20 0.39
EPHX2 P34913 1/20 0.35
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL20570672 1.00 SCD (0.42) SCDMGLLEPHX2RBP4TTR
SCHEMBL21896221 0.84 MGLL (0.38) SCDMGLL
SCHEMBL20571450 0.84 FAAH (0.34) SCDMGLLNOTUM
SCHEMBL30457718 0.84 FAAH (0.34) SCDMGLLNOTUM
SCHEMBL20571363 0.80 SCD (0.52) SCDEPHX2RBP4TTRNOTUM
SCHEMBL30458118 0.77 GPR119 (0.51) SCDNOTUM
SCHEMBL21821099 0.77 GPR119 (0.51) SCDNOTUM
SCHEMBL31168748 0.76 FAAH (0.37) SCDMGLLEPHX2RBP4TTR
SCHEMBL21821100 0.76 FAAH (0.37) SCDMGLLEPHX2RBP4TTR
SCHEMBL21821098 0.73 FAAH (0.40) MGLL

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-110678177-B Pyrazole MAGL inhibitors H.隆德贝克有限公司 2023-06-13 CN disclosed