SCHEMBL6459970

SCHEMBL6459970

CC(C)C[Sn](CC(C)C)(CC(C)C)c1cccc(CN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.42
ENPP2 Q13822 1/20 0.42
LOXL2 Q9Y4K0 3/20 0.41
NOS1 P29475 7/20 0.40
NOS2 P35228 7/20 0.40
NOS3 P29474 5/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
PRMT6 Q96LA8 1/20 0.36
SLC6A2 P23975 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL29819459 0.76 PNMT (0.48) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL5037735 0.76 PNMT (0.48) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL4342311 0.75 PNMT (0.40) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL1452550 0.73 TAAR1 (0.34) ALDH1A1CYP3A4SLC6A2TAAR1MAOA
SCHEMBL1680442 0.72 PNMT (0.48) PNMTENPP2LOXL2NOS1NOS2
Hydrochloric Acid SCHEMBL921011 0.71 NOS1 (0.49) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL36008 0.70 LOXL2 (0.71) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL10422276 0.70 LOXL2 (0.71) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL22170131 0.69 PNMT (0.45) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL84035 0.68 PNMT (0.48) PNMTENPP2LOXL2NOS1NOS2

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-1562640-A2 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS Molecular Insight Pharmaceuticals, Inc. (US) 2005-08-17 EP disclosed
WO-2004035744-A2 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS BIOSTREAM, INC. (US) 2004-04-29 WO disclosed