SCHEMBL4100541

SCHEMBL4100541

O=C(NC1CN2CCC1CC2)c1cccc2oc(N3CCN(C(=O)O)CC3)nc12

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 13/20 0.79
KCNH2 Q12809 5/20 0.79

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
SCHEMBL1005534 0.90 HTR3A (0.81) HTR3AKCNH2
SCHEMBL1005532 0.90 HTR3A (0.81) HTR3AKCNH2
SCHEMBL1005787 0.89 HTR3A (0.84) HTR3AKCNH2
SCHEMBL1005783 0.89 HTR3A (0.84) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1004922 0.89 HTR3A (0.79) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1004919 0.89 HTR3A (0.79) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1005250 0.89 HTR3A (0.82) HTR3AKCNH2
SCHEMBL1005251 0.89 HTR3A (1.00) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1005246 0.89 HTR3A (0.82) HTR3AKCNH2
SCHEMBL1005253 0.89 HTR3A (1.00) 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