SCHEMBL5065261

SCHEMBL5065261

c1ccc2oc(NC3CCCCC3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.65
HDAC6 Q9UBN7 1/20 0.56
OPRK1 P41145 1/20 0.55
PCSK9 Q8NBP7 1/20 0.52
FAAH O00519 5/20 0.52
SSTR5 P35346 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PIK3CA P42336 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDE10A Q9Y233 1/20 0.49
CXCR3 P49682 1/20 0.48

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
SCHEMBL16666111 0.98 ELANE (0.62) ELANEHDAC6OPRK1PCSK9FAAH
SCHEMBL3952272 0.92 OPRK1 (0.59) ELANEOPRK1PCSK9SSTR5NPC1
SCHEMBL7698249 0.84 OPRK1 (0.53) ELANEHDAC6OPRK1PCSK9SSTR5
SCHEMBL3577272 0.84 OPRK1 (0.53) ELANEOPRK1PCSK9SSTR5NPC1
Bromide SCHEMBL3570691 0.83 OPRK1 (0.52) ELANEOPRK1PCSK9SSTR5NPC1
SCHEMBL21047795 0.83 ELANE (0.53) ELANEHDAC6OPRK1PCSK9SSTR5
SCHEMBL3477307 0.82 FAAH (0.66) ELANEHDAC6FAAHPIK3CAGAA
SCHEMBL12966291 0.81 OPRK1 (0.53) ELANEOPRK1PCSK9SSTR5NPC1
SCHEMBL13564111 0.81 OPRK1 (0.53) ELANEOPRK1PCSK9SSTR5NPC1
SCHEMBL13564156 0.81 OPRK1 (0.50) ELANEHDAC6OPRK1PCSK9SSTR5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178666-B2 2-aminobenzoxazole process ALBANY MOLECULAR RESEARCH, INC. (US) 2012-05-15 US disclosed