SCHEMBL17836822

SCHEMBL17836822

Cc1c(C(=O)N2CCn3c(nnc3-c3cnc(F)cn3)C2)ccc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.61
TACR3 P29371 2/20 0.54

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
SCHEMBL155776 0.88 P2RX7 (0.79) P2RX7TACR3
SCHEMBL159048 0.87 P2RX7 (0.79) P2RX7TACR3
SCHEMBL107142 0.81 P2RX7 (0.85) P2RX7
SCHEMBL108158 0.80 P2RX7 (0.85) P2RX7TACR3
SCHEMBL105425 0.80 P2RX7 (0.86) P2RX7
SCHEMBL107638 0.79 TACR3 (0.63) P2RX7TACR3
SCHEMBL109168 0.78 P2RX7 (0.86) P2RX7
SCHEMBL110594 0.76 P2RX7 (1.00) P2RX7TACR3
SCHEMBL109670 0.75 P2RX7 (1.00) P2RX7
SCHEMBL106936 0.73 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 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