SCHEMBL8203499

SCHEMBL8203499

C(=Cc1ccccc1C1NCc2ccccc21)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
MGLL Q99685 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
NFE2L2 Q16236 2/20 0.34
TRPA1 O75762 1/20 0.34
PRCP P42785 1/20 0.34
KMT2A Q03164 2/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC2 Q92769 1/20 0.33
GAA P10253 1/20 0.33
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL8203494 1.00 CA1 (0.36) CA1MGLLCHRNB2CHRNA4NFE2L2
SCHEMBL1563035 0.85 PRCP (0.46) CA1MGLLPRCPKMT2AMAOB
SCHEMBL1563034 0.85 PRCP (0.46) CA1MGLLPRCPKMT2AMAOB
SCHEMBL6386396 0.73 HTR2A (0.38) CA1KMT2AMEN1
SCHEMBL6386388 0.73 HTR2A (0.38) CA1KMT2AMEN1
SCHEMBL1563824 0.72 PRCP (0.59) NFE2L2PRCPGAA
SCHEMBL1563826 0.72 PRCP (0.59) NFE2L2PRCPGAA
SCHEMBL1563924 0.69 GID4 (0.62) NFE2L2TRPA1PRCPCYP3A4CYP2D6
SCHEMBL9171323 0.69 CA1 (0.62) CA1MGLLNFE2L2TRPA1KMT2A
SCHEMBL76158 0.69 CA1 (0.62) CA1MGLLNFE2L2TRPA1KMT2A

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
EP-1017778-A1 BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-07-12 EP disclosed
WO-1999015616-A1 BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-04-01 WO disclosed