SCHEMBL5193602

SCHEMBL5193602

CC(=O)N1CCN(CCN2[C@@H]3C[CH]C[C@@H]2CC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.43
KDM1A O60341 2/20 0.42
PIK3CD O00329 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HTR3A P46098 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HTR7 P34969 3/20 0.36

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
SCHEMBL4106088 1.00 HTR4 (0.43) HTR4KDM1APIK3CDSIGMAR1DRD3
SCHEMBL6021882 1.00 HTR4 (0.43) HTR4KDM1APIK3CDSIGMAR1DRD3
SCHEMBL1830896 0.80 HTR4 (0.44) HTR4KDM1APIK3CDSIGMAR1DRD3
SCHEMBL1831926 0.80 HTR4 (0.44) HTR4KDM1APIK3CDSIGMAR1DRD3
SCHEMBL4781372 0.80 DRD3 (0.43) HTR4KDM1APIK3CDSIGMAR1DRD3
SCHEMBL1830029 0.80 DRD3 (0.43) HTR4KDM1APIK3CDSIGMAR1DRD3
SCHEMBL1833082 0.80 HTR4 (0.44) HTR4KDM1APIK3CDSIGMAR1DRD3
SCHEMBL4781369 0.80 DRD3 (0.43) HTR4KDM1APIK3CDSIGMAR1DRD3
SCHEMBL23823660 0.77 CYP1A2 (0.64) KDM1APIK3CDSIGMAR1DRD3ALDH1A1
SCHEMBL16005740 0.76 HTR4 (0.41) HTR4ALDH1A1CYP1A2TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848716-A1 CRYSTALLINE FORM OF AN INDAZOLE-CARBOXAMIDE COMPOUND Theravance, Inc. (US) 2007-10-31 EP disclosed
EP-1718643-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2006-11-08 EP disclosed
WO-2006088988-A1 CRYSTALLINE FORM OF AN INDAZOLE-CARBOXAMIDE COMPOUND THERAVANCE, INC. (US) 2006-08-24 WO disclosed
WO-2005080389-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-09-01 WO disclosed