SCHEMBL17836829

SCHEMBL17836829

O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2N2C=CC=CN2)C1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.70

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
SCHEMBL17836816 0.83 P2RX7 (0.69) P2RX7
SCHEMBL9930716 0.83 P2RX7 (1.00) P2RX7
SCHEMBL112294 0.83 P2RX7 (1.00) P2RX7
SCHEMBL108846 0.82 P2RX7 (1.00) P2RX7
SCHEMBL106686 0.82 P2RX7 (1.00) P2RX7
SCHEMBL107221 0.80 P2RX7 (1.00) P2RX7
SCHEMBL108582 0.80 P2RX7 (0.86) P2RX7
SCHEMBL109182 0.80 P2RX7 (1.00) P2RX7
SCHEMBL17836827 0.78 P2RX7 (0.66) P2RX7
SCHEMBL21253522 0.78 P2RX7 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424869-B1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2016-06-22 EP claimed