SCHEMBL7732119

SCHEMBL7732119

COc1cc(NC(=O)c2coc([C@H](N)CCc3ccccc3)n2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
PDE10A Q9Y233 1/20 0.42
ALOX15 P16050 1/20 0.41
MAPT P10636 4/20 0.41
P2RY12 Q9H244 8/20 0.41
CACNA1B Q00975 2/20 0.40
APBA1 Q02410 2/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.38
UBE2I P63279 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37

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
SCHEMBL7732103 0.76 RAB9A (0.53) MAPT
SCHEMBL7732052 0.75 RAB9A (0.43) ALOX15MAPTPOLBTP53
SCHEMBL7732335 0.73 CES1 (0.49)
Trifluoroacetic Acid SCHEMBL7735917 0.72 RAB9A (0.48) MAPT
SCHEMBL7732373 0.70 TRPV1 (0.50) MAPT
SCHEMBL13036676 0.69 ALOX15 (0.60) SLC2A1PDE10AALOX15MAPT
SCHEMBL7734004 0.69 RAB9A (0.42) ALOX15MAPTPOLBTP53
SCHEMBL7733996 0.68 NPC1 (0.50) MAPT
SCHEMBL11413959 0.67 ALOX15 (0.57) SLC2A1PDE10AALOX15MAPTPOLB
SCHEMBL6463446 0.67 DAGLA (0.51)

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
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed