SCHEMBL17850258

SCHEMBL17850258

Nc1cc(Cl)ccc1C(=O)N1CCn2c(nnc2-c2ncccc2F)C1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.72
TACR3 P29371 1/20 0.50

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
SCHEMBL108091 0.91 P2RX7 (0.80) P2RX7
SCHEMBL111485 0.85 P2RX7 (0.80) P2RX7
SCHEMBL106337 0.84 P2RX7 (1.00) P2RX7
SCHEMBL107993 0.83 P2RX7 (0.77) P2RX7
SCHEMBL110227 0.79 P2RX7 (0.74) P2RX7
SCHEMBL109216 0.78 TACR3 (0.71) P2RX7TACR3
SCHEMBL17850266 0.77 P2RX7 (0.64) P2RX7TACR3
SCHEMBL107761 0.77 P2RX7 (0.71) P2RX7
SCHEMBL158031 0.75 P2RX7 (0.67) P2RX7
SCHEMBL2558229 0.74 P2RX7 (0.77) P2RX7TACR3

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 disclosed