SCHEMBL14939178

SCHEMBL14939178

COc1ccc(C2(N3CCN(Cc4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.77
MAPT P10636 1/20 0.65
SIGMAR1 Q99720 1/20 0.60
MMP2 P08253 2/20 0.58
MMP9 P14780 2/20 0.58
TP53 P04637 1/20 0.57
LMNA P02545 1/20 0.52

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
SCHEMBL14939758 0.91 NPSR1 (0.63) NPSR1MAPTSIGMAR1MMP2MMP9
SCHEMBL14940203 0.90 NPSR1 (0.72) NPSR1MAPTSIGMAR1MMP2MMP9
SCHEMBL14940106 0.87 NPSR1 (0.72) NPSR1MAPTSIGMAR1MMP2MMP9
SCHEMBL14939441 0.87 NPSR1 (0.72) NPSR1MAPTSIGMAR1MMP2MMP9
SCHEMBL14939617 0.87 NPSR1 (1.00) NPSR1MAPTSIGMAR1MMP2MMP9
SCHEMBL14940145 0.86 NPSR1 (0.60) NPSR1MAPTSIGMAR1MMP2MMP9
SCHEMBL14939547 0.86 NPSR1 (0.63) NPSR1MAPTSIGMAR1MMP2MMP9
SCHEMBL14939326 0.85 NPSR1 (0.65) NPSR1MAPTSIGMAR1MMP2MMP9
SCHEMBL14939001 0.85 TP53 (0.60) NPSR1MAPTMMP2MMP9TP53
SCHEMBL14939383 0.85 MAPT (0.58) NPSR1MAPTTP53

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-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO claimed
WO-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO disclosed