SCHEMBL5168922

SCHEMBL5168922

COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c1=O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.69
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
TSHR P16473 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
SCHEMBL3475210 1.00 P2RX7 (0.69) P2RX7CNR1CNR2TSHR
SCHEMBL3473604 1.00 P2RX7 (0.69) P2RX7CNR1CNR2TSHR
SCHEMBL3473050 1.00 P2RX7 (0.69) P2RX7CNR1CNR2TSHR
SCHEMBL3472378 0.99 P2RX7 (0.68) P2RX7CNR1CNR2TSHR
SCHEMBL3473729 0.98 P2RX7 (0.68) P2RX7TSHR
SCHEMBL3476181 0.93 P2RX7 (0.60) P2RX7CNR1CNR2TSHR
SCHEMBL3474036 0.92 P2RX7 (0.59) P2RX7CNR1CNR2
SCHEMBL3474578 0.92 P2RX7 (0.58) P2RX7CNR1CNR2
SCHEMBL3473327 0.92 P2RX7 (0.67) P2RX7CNR1CNR2
SCHEMBL3476058 0.91 P2RX7 (0.57) 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-1776352-A1 METHOD FOR PREPARING 5-[4-(2-HYDROXY-PROPYL)-3,5-DIOXO-4,5-DIHYDRO-3H[1,2,4]TRIAZIN-2-YL]-BENZAMIDE DERIVATIVES BY DEPROTECTING THE HYDROXYL-PROTECTED PRECURSERS Pfizer Products Inc. (US) 2007-04-25 EP disclosed
WO-2006003500-A1 METHOD FOR PREPARING 5-`4-(2-HYDROXY-PROPYL)-3,5-DIOXO-4,5-DIHYDRO-3H`1,2,4!TRIAZIN-2-YL!-BENZAMIDE DERIVATIVES BY DEPROTECTING THE HYDROXYL-PROTECTED PRECURSERS PFIZER PRODUCTS INC. (US) 2006-01-12 WO disclosed