SCHEMBL13634240

SCHEMBL13634240

CCO[C@H]1CCN(c2nc(CC)co2)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
PIN1 Q13526 2/20 0.32
ACACB O00763 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE7B Q9NP56 1/20 0.32
VNN1 O95497 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL13634239 0.88 AOC3 (0.35) HRH4PIK3CAMTORACACBHRH3
SCHEMBL13634314 0.87 LIPG (0.37) HRH4PIK3CAMTORACACB
SCHEMBL13634325 0.81 ACACB (0.35) ACACB
SCHEMBL13634211 0.80 HRH4 (0.39) HRH4HRH3
SCHEMBL13634326 0.80 GPR119 (0.34) HRH4CNR2
SCHEMBL13162581 0.80 TTR (0.39) PIN1VNN1
SCHEMBL13634313 0.79 CNR2 (0.37) HRH4HRH3CNR2
SCHEMBL13638745 0.79 PIN1 (0.30) PIN1
SCHEMBL13634321 0.79 CHRM3 (0.31) HRH3
SCHEMBL15888551 0.78 HCRTR1 (0.44) PIN1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed