SCHEMBL3724065

SCHEMBL3724065

O=C1C(=O)N(c2cccc3ccccc23)CCN1Cc1c(F)cccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 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
SCHEMBL3722166 0.85 P2RX7 (1.00) P2RX7
SCHEMBL3722717 0.82 P2RX7 (0.71) P2RX7
SCHEMBL3726337 0.80 P2RX7 (1.00) P2RX7
SCHEMBL3729822 0.70 P2RX7 (1.00) P2RX7
SCHEMBL3722998 0.70 P2RX7 (1.00) P2RX7
SCHEMBL3724803 0.69 P2RX7 (1.00) P2RX7
SCHEMBL3722621 0.68 P2RX7 (1.00) P2RX7
SCHEMBL3724531 0.67 P2RX7 (1.00) P2RX7
SCHEMBL3723247 0.67 P2RX7 (1.00) P2RX7
SCHEMBL3721127 0.67 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
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