SCHEMBL3722844

SCHEMBL3722844

Cc1c(N2CCCC2)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 1.00

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
SCHEMBL3724064 0.91 P2RX7 (1.00) P2RX7
SCHEMBL3722834 0.89 P2RX7 (1.00) P2RX7
SCHEMBL13076074 0.89 P2RX7 (1.00) P2RX7
SCHEMBL3721127 0.89 P2RX7 (1.00) P2RX7
Hydrochloric Acid SCHEMBL3723925 0.89 P2RX7 (0.98) P2RX7
SCHEMBL13076073 0.89 P2RX7 (1.00) P2RX7
SCHEMBL3723161 0.89 P2RX7 (1.00) P2RX7
Hydrochloric Acid SCHEMBL3719387 0.88 P2RX7 (0.98) P2RX7
SCHEMBL3722227 0.87 P2RX7 (1.00) P2RX7
SCHEMBL3722980 0.86 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010125103-A1 DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO claimed
WO-2010125103-A1 DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125103-A1 DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed