SCHEMBL4003575

SCHEMBL4003575

COc1cccc(C(=O)N[C@]2(c3ccccc3)CCCNC2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
SLC6A9 P48067 1/20 0.56
ROCK2 O75116 6/20 0.54
ROCK1 Q13464 5/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
FAAH O00519 1/20 0.49
CNR2 P34972 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
MAPK1 P28482 1/20 0.45
POLB P06746 2/20 0.45
KAT6A Q92794 1/20 0.44

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
SCHEMBL4006834 0.87 SLC6A9 (0.56) ALDH1A1SLC6A9ROCK2ROCK1NPC1
SCHEMBL4000824 0.81 SLC6A9 (0.49) SLC6A9ROCK2ROCK1NPC1RAB9A
SCHEMBL4006927 0.77 SLC6A9 (0.49) ALDH1A1SLC6A9ROCK2ROCK1NPC1
SCHEMBL4011286 0.75 SLC6A9 (0.50) SLC6A9
SCHEMBL18059055 0.75 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL3717031 0.74 SLC6A4 (0.43) SLC6A9ROCK2ROCK1KMT2A
SCHEMBL4010839 0.74 SLC6A9 (0.51) SLC6A9NPC1RAB9A
SCHEMBL13753631 0.73 MEN1 (0.63) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10099586 0.72 GPR132 (0.60) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7480996 0.72 RAB9A (0.56) ALDH1A1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed