SCHEMBL3584822

SCHEMBL3584822

CC(C)(O)Cn1c(C(N)=O)cc2[c]cccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.38
NPC1 O15118 4/20 0.34
F10 P00742 3/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.32
CCR2 P41597 1/20 0.32
MAPT P10636 1/20 0.32
PLA2G10 O15496 1/20 0.32
TLR7 Q9NYK1 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 0.81 NPC1 (0.36) NPC1F10TSHRCCR2MAPT
SCHEMBL3576486 0.80 SMN1; SMN2 (0.36) NPC1F10TSHRCCR2PLA2G10
SCHEMBL4994314 0.80 PLA2G10 (0.45) F10CCR2MAPTPLA2G10
SCHEMBL3345878 0.77 EGFR (0.37) NPC1TSHRMAPT
SCHEMBL3582637 0.74 NPC1 (0.34) NPC1CCR2
SCHEMBL3589089 0.72 NPC1 (0.30) NPC1
SCHEMBL3580573 0.72 NPC1 (0.31) NPC1
SCHEMBL2799169 0.65 SLC9A1 (0.43) NPC1F10CCR2MAPTPLA2G10
SCHEMBL3586201 0.62 SLC9A1 (0.38) NPC1F10CCR2MAPTPLA2G10
SCHEMBL396907 0.60 KDM4E (0.56) PIK3CANPC1TSHRTLR7

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