SCHEMBL17263273

SCHEMBL17263273

COc1ccc(-c2nc(C)c(C)nc2C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.51
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
TLR8 Q9NR97 1/20 0.39
NPC1 O15118 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
AMY1A P0DUB6 1/20 0.38

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
SCHEMBL15256081 0.88 CRHR1 (0.48) CRHR1CYP11B1CYP11B2NPC1
SCHEMBL17263292 0.80 CRHR1 (0.44) CRHR1CYP11B1CYP11B2NPC1ADRA2A
SCHEMBL17224064 0.80 CRHR1 (0.42) CRHR1CYP11B1CYP11B2TLR8NPC1
SCHEMBL12326180 0.78 CA1 (0.50) CYP11B1CYP11B2
SCHEMBL15688357 0.78 CRHR1 (0.43) CRHR1CYP11B1CYP11B2NPC1
SCHEMBL17178245 0.78 DRD1 (0.58) CRHR1CYP11B1CYP11B2TLR8NPC1
SCHEMBL6285490 0.78 CRHR1 (0.53) CRHR1NPC1
SCHEMBL14307063 0.78 KDM4E (0.54) CRHR1CYP11B1CYP11B2
SCHEMBL15688500 0.77 ADRA2A (0.44) CRHR1CYP11B1CYP11B2ADRA2AADRA2C
SCHEMBL17178283 0.77 DRD1 (0.46) CRHR1AMY1A

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-9187689-B2 Organometallic complex and light-emitting element, light-emitting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-11-17 US disclosed