SCHEMBL17850260

SCHEMBL17850260

C=Cc1ccccc1C(=O)N1CCn2c(nnc2-c2cnccn2)C1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.74
TACR3 P29371 1/20 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
SCHEMBL17850254 0.88 P2RX7 (0.78) P2RX7TACR3
SCHEMBL106922 0.85 P2RX7 (1.00) P2RX7
SCHEMBL17850218 0.83 P2RX7 (0.74) P2RX7TACR3
SCHEMBL108686 0.81 P2RX7 (1.00) P2RX7
SCHEMBL17850242 0.81 P2RX7 (0.68) P2RX7
SCHEMBL9972034 0.80 P2RX7 (0.84) P2RX7
SCHEMBL9930361 0.78 P2RX7 (1.00) P2RX7TACR3
SCHEMBL108975 0.78 P2RX7 (0.82) P2RX7
SCHEMBL107391 0.77 P2RX7 (1.00) P2RX7
SCHEMBL108781 0.77 P2RX7 (0.82) 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 disclosed