SCHEMBL5789637

SCHEMBL5789637

CCN(CC)CC.C[C@@H]1CCC[C@H](C)N1CCO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAOB P27338 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HPGD P15428 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL4079655 0.88 LTA4H (0.38) MAOBHRH3LTA4H
SCHEMBL4088693 0.88 LTA4H (0.38) MAOBHRH3LTA4H
SCHEMBL8237729 0.88 LTA4H (0.38) MAOBHRH3LTA4H
SCHEMBL4084781 0.79 OPRM1 (0.33) HRH3
SCHEMBL12371257 0.79 OPRM1 (0.33) HRH3
SCHEMBL10867797 0.77 ACHE (0.45) HPGD
SCHEMBL4089546 0.75 HRH3 (0.40) MAOBHRH3
SCHEMBL4089544 0.75 HRH3 (0.40) MAOBHRH3
SCHEMBL10469227 0.74 HRH3 (0.39) MAOBHRH3
Iodide SCHEMBL5786537 0.72 HRH3 (0.41) MAOBHRH3

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