SCHEMBL13638825

SCHEMBL13638825

CN(Cc1ccc(N)c(C=O)c1)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PDE1B Q01064 1/20 0.36
CCR2 P41597 1/20 0.36
LMNA P02545 1/20 0.35
PIK3CD O00329 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.35
PARP1 P09874 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHEK1 O14757 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
SCHEMBL13638747 0.82 HRH3 (0.40) HRH3HRH4NPC1RAB9APDE1B
SCHEMBL7222772 0.78 HRH3 (0.51) HRH3HRH4NPC1RAB9APDE1B
SCHEMBL313877 0.76 HRH3 (0.51) HRH3HRH4NPC1RAB9ACCR2
SCHEMBL13162813 0.76 ALDH1A1 (0.54) PDE1BCCR2ALDH1A1HDAC1PARP1
SCHEMBL31428702 0.76 NPC1 (0.39) HRH3HRH4NPC1RAB9APDE1B
Hydrochloric Acid SCHEMBL7221627 0.75 HRH3 (0.50) HRH3HRH4NPC1RAB9ACCR2
Hydrochloric Acid SCHEMBL6340964 0.75 HRH3 (0.50) HRH3HRH4NPC1RAB9ACCR2
SCHEMBL3086988 0.74 NPC1 (0.44) HRH3HRH4NPC1RAB9ALMNA
SCHEMBL3094208 0.73 HRH3 (0.51) HRH3HRH4NPC1RAB9APDE1B
SCHEMBL16193406 0.71 HRH3 (0.53) HRH3HRH4NPC1RAB9APDE1B

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