SCHEMBL3985869

SCHEMBL3985869

NC(=O)C1CCCN1c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.56
HTR3A P46098 13/20 0.42
KCNH2 Q12809 2/20 0.42
MAT2A P31153 2/20 0.40
IDO1 P14902 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1003486 0.87 ELANE (0.50) ELANEHTR3AKCNH2HSD17B10
SCHEMBL1003484 0.87 ELANE (0.50) ELANEHTR3AKCNH2HSD17B10
SCHEMBL3984732 0.80 ELANE (0.52) ELANEMAT2AHSD17B10
SCHEMBL12928116 0.79 HTR3A (0.71) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1005617 0.79 HTR3A (0.70) HTR3AKCNH2
SCHEMBL7846334 0.76 ELANE (0.67) ELANEHTR3A
SCHEMBL1004884 0.75 HTR6 (0.50) ELANEHTR3AKCNH2IDO1MAOA
SCHEMBL8223628 0.75 HTR3A (0.47) ELANEHTR3AKCNH2
SCHEMBL5108964 0.73 HTR3A (0.65) HTR3AKCNH2
SCHEMBL3984980 0.73 HTR3A (0.65) HTR3AKCNH2

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-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO disclosed