SCHEMBL14939360

SCHEMBL14939360

O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(Cc2cc3c(cc2Cl)OCO3)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.63
OPRM1 P35372 6/20 0.51
OPRD1 P41143 6/20 0.51
OPRK1 P41145 6/20 0.51
OPRL1 P41146 5/20 0.51
DRD3 P35462 3/20 0.51
CACNA1F O60840 2/20 0.51
CACNA1D Q01668 2/20 0.51
CACNA1S Q13698 2/20 0.51
CACNA1C Q13936 2/20 0.51
SIGMAR1 Q99720 1/20 0.51
MAPT P10636 3/20 0.47
CHRM1 P11229 2/20 0.46
ADRA1D P25100 2/20 0.46
HTR7 P34969 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL14939620 0.83 NPSR1 (0.68) NPSR1MEN1KMT2ALMNAALDH1A1
SCHEMBL14940377 0.83 NPSR1 (0.74) NPSR1SIGMAR1MAPTMEN1KMT2A
SCHEMBL14938779 0.81 NPSR1 (0.65) NPSR1OPRM1SIGMAR1MAPTMEN1
SCHEMBL14939755 0.79 NPSR1 (0.57) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL14939617 0.78 NPSR1 (1.00) NPSR1SIGMAR1MAPTDRD2LMNA
SCHEMBL14939244 0.77 NPSR1 (0.71) NPSR1MAPTHTR7KMT2ALMNA
SCHEMBL13150855 0.77 HTR7 (0.55) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL14938987 0.77 NPSR1 (0.85) NPSR1SIGMAR1MAPTCHRM2DRD4
SCHEMBL14939520 0.76 NPSR1 (0.57) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL14939794 0.76 NPSR1 (0.56) NPSR1MEN1KMT2ALMNAALDH1A1

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