SCHEMBL3582637

SCHEMBL3582637

NC(=O)c1cc2[c]cccc2c(=O)n1CC1(O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
HASPIN Q8TF76 2/20 0.32
CDK19 Q9BWU1 2/20 0.32
CCR2 P41597 1/20 0.30

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
SCHEMBL3347472 0.77 NPC1 (0.36) NPC1CCR2
SCHEMBL4994314 0.76 PLA2G10 (0.45) CCR2
SCHEMBL3584822 0.74 PIK3CA (0.38) NPC1CCR2
SCHEMBL3576486 0.74 SMN1; SMN2 (0.36) NPC1CCR2
SCHEMBL3345878 0.71 EGFR (0.37) NPC1
SCHEMBL3589089 0.67 NPC1 (0.30) NPC1
SCHEMBL3580573 0.66 NPC1 (0.31) NPC1
SCHEMBL2799169 0.60 SLC9A1 (0.43) NPC1CCR2
SCHEMBL3582640 0.59 PARP1 (0.53)
SCHEMBL5746207 0.58 KDM4E (0.44) NPC1

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-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed