SCHEMBL17595702

SCHEMBL17595702

C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)CN1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.47
TACR3 P29371 1/20 0.39
MLNR O43193 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL17595703 1.00 P2RX7 (0.47) P2RX7TACR3MLNRGAATSHR
SCHEMBL17595691 0.84 P2RX7 (0.34) P2RX7
SCHEMBL17595687 0.84 P2RX7 (0.34) P2RX7
SCHEMBL17596250 0.83 P2RX7 (0.43) P2RX7GAATSHR
SCHEMBL17596252 0.83 P2RX7 (0.43) P2RX7GAATSHR
SCHEMBL17595700 0.81 GAA (0.51) P2RX7GAATSHR
SCHEMBL17595699 0.81 GAA (0.51) P2RX7GAATSHR
SCHEMBL16093930 0.77 P2RX7 (0.50) P2RX7TACR3GAATSHR
SCHEMBL16093928 0.77 P2RX7 (0.50) P2RX7TACR3GAATSHR
SCHEMBL17596657 0.77 P2RX7 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191488-A1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES Janssen Pharmaceutica, N.V. (BE) 2017-07-19 EP disclosed
WO-2016039983-A1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO disclosed