SCHEMBL14939688

SCHEMBL14939688

O=C1c2cccc(Cl)c2C(=O)C1(c1ccccc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.77
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MAPT P10636 4/20 0.45
SIGMAR1 Q99720 5/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL14939243 0.92 NPSR1 (0.65) NPSR1MMP2MMP9MAPTSIGMAR1
SCHEMBL14938982 0.91 NPSR1 (0.64) NPSR1MMP2MMP9MAPTSIGMAR1
SCHEMBL14939436 0.89 NPSR1 (0.61) NPSR1MMP2MMP9MAPTSIGMAR1
SCHEMBL14939617 0.87 NPSR1 (1.00) NPSR1MMP2MMP9MAPTSIGMAR1
SCHEMBL14939390 0.87 NPSR1 (0.75) NPSR1MMP2MMP9MAPTSIGMAR1
SCHEMBL14939299 0.87 NPSR1 (0.58) NPSR1MAPTSIGMAR1LMNATDP1
SCHEMBL14939694 0.86 NPSR1 (0.73) NPSR1MMP2MMP9MAPTSIGMAR1
SCHEMBL14939425 0.84 NPSR1 (0.79) NPSR1MMP2MMP9MAPTSIGMAR1
SCHEMBL14939167 0.84 NPSR1 (0.70) NPSR1MMP2MMP9MAPTSIGMAR1
SCHEMBL14938987 0.83 NPSR1 (0.85) NPSR1MMP2MMP9MAPTSIGMAR1

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