SCHEMBL3722016

SCHEMBL3722016

O=C1C(=O)N(c2ccc(N3CCOCC3)cc2)CCN1Cc1ccc(F)cc1Cl

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.84

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
SCHEMBL3724710 0.92 P2RX7 (1.00) P2RX7
SCHEMBL3722575 0.91 P2RX7 (0.84) P2RX7
SCHEMBL3727250 0.88 P2RX7 (1.00) P2RX7
SCHEMBL3721324 0.87 P2RX7 (1.00) P2RX7
SCHEMBL3722593 0.86 P2RX7 (1.00) P2RX7
SCHEMBL3725677 0.86 P2RX7 (1.00) P2RX7
SCHEMBL3726278 0.85 P2RX7 (1.00) P2RX7
SCHEMBL3723365 0.84 P2RX7 (1.00) P2RX7
SCHEMBL3720401 0.83 P2RX7 (1.00) P2RX7
SCHEMBL3728820 0.83 P2RX7 (0.77) 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