SCHEMBL20193202

SCHEMBL20193202

Cc1ccc2c3ccccc3c3nccnc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSP90AA1 P07900 1/20 0.47
MAOA P21397 1/20 0.44
CCR1 P32246 3/20 0.43
CCR8 P51685 3/20 0.43
CCR5 P51681 2/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42

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
SCHEMBL10001030 0.96 NPC1 (0.47) NPC1L3MBTL1HSP90AA1MAOACCR1
SCHEMBL13330657 0.92 CCR1 (0.50) NPC1L3MBTL1HSP90AA1MAOACCR1
SCHEMBL19978073 0.90 NPC1 (0.50) NPC1L3MBTL1HSP90AA1MAOACCR1
SCHEMBL12346093 0.88 L3MBTL1 (0.57) NPC1L3MBTL1HSP90AA1MAOACCR1
SCHEMBL13330656 0.87 CCR1 (0.50) NPC1L3MBTL1HSP90AA1MAOACCR1
SCHEMBL10001029 0.86 NPC1 (0.50) NPC1L3MBTL1HSP90AA1MAOACCR1
SCHEMBL17994960 0.86 NPC1 (0.50) NPC1L3MBTL1HSP90AA1MAOACCR1
SCHEMBL10001027 0.86 NPC1 (0.50) NPC1L3MBTL1HSP90AA1MAOACCR1
SCHEMBL12346094 0.81 CCR1 (0.56) NPC1L3MBTL1HSP90AA1CCR1CCR8
SCHEMBL713323 0.80 L3MBTL1 (0.52) NPC1L3MBTL1HSP90AA1CCR1CCR8

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-9985218-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-05-29 US disclosed