SCHEMBL5753872

SCHEMBL5753872

CN1C(=O)NCC1CCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
DRD3 P35462 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4089595 0.71 PDK2 (0.50) HRH3CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL4084395 0.69 NFE2L2 (0.54) HRH3CYP3A4CYP2D6NPSR1MAPK1
SCHEMBL13792048 0.69 FBP1 (0.43) HRH3CYP3A4
SCHEMBL4090609 0.68 MAOB (0.42) HRH3CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL3989401 0.68 PPARA (0.48) HRH3CYP3A4LMNA
SCHEMBL1641511 0.68 KDM4E (0.50) HRH3CYP3A4CYP2D6KDM4E
SCHEMBL1608519 0.67 CA12 (0.50) KDM4ELMNAL3MBTL1MAPK1MAPT
SCHEMBL7759148 0.67 KDM4E (0.44) CYP3A4CYP2D6SLC6A2SLC6A4NPSR1
SCHEMBL30334792 0.67 CA12 (0.50) KDM4ELMNAL3MBTL1MAPK1MAPT
SCHEMBL4057003 0.67 CA12 (0.50) NPSR1KDM4ESMN1; SMN2LMNAL3MBTL1

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-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO disclosed