SCHEMBL9056263

SCHEMBL9056263

[Al]CC(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
MAOA P21397 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
KDR P35968 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6674901 0.83 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL9056261 0.83 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6675789 0.80 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6676496 0.78 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL3157927 0.77 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6675580 0.77 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6672847 0.77 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7606251 0.77 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL10516045 0.77 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29617348 0.77 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B

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-1996013531-A1 PREPARATION OF MODIFIED POLYOLEFIN CATALYSTS AND IN SITU PREPARATION OF SUPPORTED METALLOCENE AND ZIEGLER-NATTA/METALLOCENE POLYOLEFIN CATALYSTS W.R. GRACE & CO.-CONN. (US) 1996-05-09 WO claimed
WO-1996013531-A1 PREPARATION OF MODIFIED POLYOLEFIN CATALYSTS AND IN SITU PREPARATION OF SUPPORTED METALLOCENE AND ZIEGLER-NATTA/METALLOCENE POLYOLEFIN CATALYSTS W.R. GRACE & CO.-CONN. (US) 1996-05-09 WO disclosed