SCHEMBL5599090

SCHEMBL5599090

NC(=O)Cc1cccc2c1CCNC2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.53
PNMT P11086 4/20 0.41
MAOB P27338 1/20 0.41
CFD P00746 1/20 0.38
F11 P03951 1/20 0.38
PTK2 Q05397 1/20 0.38
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PRCP P42785 1/20 0.36
PRMT5 O14744 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
Hydrochloric Acid SCHEMBL16269628 0.98 CD44 (0.51) CD44PNMTMAOBCFDF11
Hydrochloric Acid SCHEMBL16268397 0.98 CD44 (0.51) CD44PNMTMAOBCFDF11
SCHEMBL14678265 0.88 PNMT (0.49) CD44PNMTMAOBCFDF11
SCHEMBL27746997 0.81 CD44 (0.45) CD44PNMTMAOBCFDF11
Hydrochloric Acid SCHEMBL4015918 0.80 CD44 (0.44) CD44PNMTMAOBCFDF11
SCHEMBL12942082 0.79 CD44 (0.56) CD44PNMTMAOBPRCP
SCHEMBL30150923 0.78 RXRB (0.43)
SCHEMBL19212186 0.78 RXRB (0.43)
SCHEMBL20179558 0.77 CD44 (0.50) CD44PNMTMAOBPRCP
SCHEMBL22096355 0.77 PNMT (0.39) CD44PNMTGAANPSR1PRCP

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-2007109182-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed