SCHEMBL30458111

SCHEMBL30458111

CN(Cc1ccc(C(F)(F)F)c(N2CCC(F)CC2)c1)C1(C)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.35
SLC6A4 P31645 7/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SOS1 Q07889 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CHEK1 O14757 1/20 0.31
PARP1 P09874 1/20 0.31
MAP2K1 Q02750 1/20 0.31
NCF1 P14598 1/20 0.31
MGLL Q99685 3/20 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
SCHEMBL20570209 1.00 SLC6A2 (0.35) SLC6A2SLC6A4FFAR4SOS1NOS3
SCHEMBL20570689 0.84 FFAR4 (0.41) FFAR4MGLL
SCHEMBL20571082 0.83 MGLL (0.40) FFAR4MGLL
SCHEMBL20571126 0.81 GPR119 (0.41) FFAR4MGLL
SCHEMBL20570789 0.73 MGLL (0.45) MGLL
SCHEMBL20571352 0.69 SLC6A2 (0.32) SLC6A2SLC6A4
SCHEMBL20769542 0.69 MGLL (0.53) FFAR4MGLL
SCHEMBL20920354 0.69 MGLL (0.48) MGLL
SCHEMBL28200821 0.66 CHRM3 (0.41) FFAR4SOS1
SCHEMBL22350793 0.65 PDE3B (0.42) FFAR4

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