SCHEMBL29619082

SCHEMBL29619082

CC(C)(C)OC(=O)N1CCCCC1COc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
ALOX5AP P20292 3/20 0.41
FEN1 P39748 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.39
UCHL1 P09936 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CHRNB2 P17787 1/20 0.38

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
SCHEMBL31663771 1.00 CHRNB4 (0.41) CHRNB4CHRNA3ALOX5APFEN1ALDH1A1
SCHEMBL29619117 1.00 CHRNB4 (0.41) CHRNB4CHRNA3ALOX5APFEN1ALDH1A1
SCHEMBL13419614 0.86 ALOX5AP (0.47) CHRNB4CHRNA3ALOX5APFEN1ALDH1A1
SCHEMBL29619163 0.84 ALOX5AP (0.45) ALOX5APFEN1ALDH1A1UCHL1MEN1
SCHEMBL31663762 0.84 ALOX5AP (0.45) ALOX5APFEN1ALDH1A1UCHL1MEN1
SCHEMBL29619008 0.84 ALOX5AP (0.45) ALOX5APFEN1ALDH1A1UCHL1MEN1
SCHEMBL4371494 0.84 ALOX5AP (0.45) CHRNB4CHRNA3ALOX5APFEN1ALDH1A1
SCHEMBL4371497 0.84 ALOX5AP (0.45) CHRNB4CHRNA3ALOX5APFEN1ALDH1A1
SCHEMBL31663816 0.83 ALOX5AP (0.41) CHRNB4CHRNA3ALOX5APFEN1ALDH1A1
SCHEMBL4367102 0.83 ALOX5AP (0.44) CHRNB4CHRNA3ALOX5APFEN1ALDH1A1

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-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP disclosed
WO-2022093850-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 WO disclosed