SCHEMBL5180441

SCHEMBL5180441

COCC(O)Cn1c(=O)cnn(-c2ccc(CC3(O)CCCCCC3)c(C(N)=O)c2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.68
NR3C1 P04150 2/20 0.33
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL3344607 0.82 P2RX7 (0.56) P2RX7LMNARAB9ASMN1; SMN2MAPK14
SCHEMBL30557747 0.81 P2RX7 (0.76) P2RX7
SCHEMBL3476055 0.81 P2RX7 (0.84) P2RX7
SCHEMBL3472355 0.81 P2RX7 (0.84) P2RX7
SCHEMBL3473601 0.81 P2RX7 (1.00) P2RX7
SCHEMBL13433834 0.81 P2RX7 (1.00) P2RX7
Ce-224535 SCHEMBL3473047 0.81 P2RX7 (1.00) P2RX7
SCHEMBL13433833 0.81 P2RX7 (1.00) P2RX7
SCHEMBL3475207 0.81 P2RX7 (1.00) P2RX7
Ce-224535 SCHEMBL3475321 0.81 P2RX7 (1.00) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768965-A1 METHOD FOR PREPARING 5-¬4-(2-HYDROXY-ETHYL)-3,5-DIOXO-4,5-DIHYDRO-3H-¬1,2,4|-TRIAZIN-2-YL|BENZAMIDE DERIVATIVES WITH P2X7 INHIBITING ACTIVITY BY REACTION OF THE DERIVATIVE UNSUBSTITUTED IN 4-POSITION OF THE TRIAZINE WITH AN OXIRAN IN THE PRESENCE OF A LEWIS ACID Pfizer Products Incorporated (US) 2007-04-04 EP claimed
WO-2006003513-A1 METHOD FOR PREPARING 5-`4-(2-HYDROXY-ETHYL)-3,5-DIOXO-4,5-DIHYDRO-3H-`1,2,4!-TRIAZIN-2-YL!BENZAMIDE DERIVATIVES WITH P2X7 INHIBITING ACTIVITY BY REACTION OF THE DERIVATIVE UNSUBSTITUTED IN 4-POSITION OF THE TRIAZINE WITH AN OXIRAN IN THE PRESENCE OF A LEWIS ACID PFIZER PRODUCTS INC. (US) 2006-01-12 WO claimed