SCHEMBL30457718

SCHEMBL30457718

CS(=O)(=O)Nc1ccn(C(=O)N2CCC(Oc3ccc(C(F)(F)F)c(-c4nnco4)c3)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.34
SCD O00767 1/20 0.34
GPR119 Q8TDV5 4/20 0.33
MGLL Q99685 1/20 0.33
PIK3CD O00329 3/20 0.33
PIK3CA P42336 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NOTUM Q6P988 3/20 0.32
KMT2A Q03164 1/20 0.32
NEK2 P51955 1/20 0.31

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
SCHEMBL20571450 1.00 FAAH (0.34) FAAHSCDGPR119MGLLPIK3CD
SCHEMBL21896221 0.85 MGLL (0.38) FAAHSCDGPR119MGLL
SCHEMBL30457967 0.84 SCD (0.42) SCDMGLLNOTUM
SCHEMBL20570672 0.84 SCD (0.42) SCDMGLLNOTUM
SCHEMBL21821100 0.82 FAAH (0.37) FAAHSCDGPR119MGLLHRH3
SCHEMBL31168748 0.82 FAAH (0.37) FAAHSCDGPR119MGLLHRH3
SCHEMBL31168779 0.82 FAAH (0.40) FAAHMGLL
SCHEMBL21821098 0.82 FAAH (0.40) FAAHMGLL
SCHEMBL31168830 0.81 PIK3CD (0.38) FAAHGPR119MGLLPIK3CDPIK3CA
SCHEMBL21821078 0.81 PIK3CD (0.38) FAAHGPR119MGLLPIK3CDPIK3CA

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