SCHEMBL30700970

SCHEMBL30700970

CC(C)(C)OC(=O)N1CC(c2ccc(NCC3(C(F)(F)F)CC3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
RORC P51449 8/20 0.43
MAPT P10636 1/20 0.41
TACR1 P25103 3/20 0.40
PDE4B Q07343 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL25325147 0.86 DDB1 (0.46) NAMPTRORCTACR1PDE4B
SCHEMBL30721151 0.86 DDB1 (0.46) NAMPTRORCTACR1PDE4B
SCHEMBL29496971 0.84 DDB1 (0.39) RORCMAPTPTPN2PTPN1PTPN6
SCHEMBL25295844 0.84 DDB1 (0.39) RORCMAPTPTPN2PTPN1PTPN6
SCHEMBL21382579 0.83 LIPE (0.43) NAMPTRORCTACR1GPR119
SCHEMBL30700821 0.83 NAMPT (0.45) NAMPTRORCMAPTTACR1PDE4B
SCHEMBL25292199 0.79 GPR119 (0.38) NAMPTRORCGPR119KDM4E
SCHEMBL21381654 0.78 RORC (0.46) RORCTACR1PDE4BKDM4E
SCHEMBL25327834 0.76 RORC (0.47) NAMPTRORCTACR1PDE4BKDM4E
SCHEMBL22059421 0.76 RORC (0.57) RORCMAPTTACR1GPR119KDM4E

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
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO disclosed