SCHEMBL19953754

SCHEMBL19953754

CC(C)(C)OC(=O)N1Cc2ccccc2C(C(=O)NC2Cc3ccccc3C2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.49
TAOK3 Q9H2K8 1/20 0.47
MAPK1 P28482 1/20 0.45
ABHD6 Q9BV23 1/20 0.42
FABP5 Q01469 1/20 0.42
USP30 Q70CQ3 3/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
EPHX2 P34913 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
NR1H2 P55055 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL3697074 0.83 NAMPT (0.53) NAMPTTAOK3MAPK1ABHD6USP30
SCHEMBL3703899 0.83 NAMPT (0.52) NAMPTTAOK3MAPK1ABHD6USP30
SCHEMBL30771260 0.83 NAMPT (0.52) NAMPTTAOK3MAPK1ABHD6USP30
SCHEMBL19960673 0.81 FABP5 (0.43) NAMPTABHD6FABP5HRH3
SCHEMBL19960688 0.79 FABP5 (0.42) NAMPTABHD6FABP5EPHX2HRH3
SCHEMBL19960684 0.78 HRH3 (0.39) NAMPTFABP5EPHX2HRH3
SCHEMBL23257707 0.78 NAMPT (0.54) NAMPTTAOK3MAPK1ABHD6DDB1
SCHEMBL11929935 0.78 ABHD6 (0.65) NAMPTTAOK3MAPK1ABHD6DDB1
SCHEMBL29457612 0.78 NAMPT (0.54) NAMPTTAOK3MAPK1ABHD6DDB1
SCHEMBL19960916 0.77 PRMT5 (0.46) NAMPTFABP5HRH3PRMT5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed