SCHEMBL6922649

SCHEMBL6922649

CC1CCn2c(nc3cc(C#Cc4ccccn4)ccc3c2=O)C1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
HCRTR1 O43613 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
GRM5 P41594 5/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ERN1 O75460 1/20 0.36
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL6921954 0.90 POLB (0.46) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL14240282 0.87 POLB (0.41) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2052700 0.85 POLB (0.44) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL9994196 0.84 POLB (0.42) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL6922456 0.82 POLB (0.44) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2046075 0.82 POLB (0.44) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2046073 0.82 POLB (0.44) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL9994524 0.82 POLB (0.44) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL19846644 0.81 POLB (0.42) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL15817725 0.81 POLB (0.42) POLBPTPN7DUSP3RXFP1NPC1

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
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed