SCHEMBL17596452

SCHEMBL17596452

C[C@H]1Cn2c(nnc2-c2cc(Cl)ccn2)CN1C(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.83

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
SCHEMBL17596453 1.00 P2RX7 (0.83) P2RX7
SCHEMBL20099698 0.94 P2RX7 (0.85) P2RX7
SCHEMBL17596267 0.92 P2RX7 (0.82) P2RX7
SCHEMBL17596269 0.92 P2RX7 (0.82) P2RX7
SCHEMBL17596622 0.91 P2RX7 (1.00) P2RX7
SCHEMBL20099706 0.91 P2RX7 (1.00) P2RX7
SCHEMBL29794054 0.91 P2RX7 (1.00) P2RX7
SCHEMBL17596620 0.91 P2RX7 (1.00) P2RX7
SCHEMBL17595605 0.89 P2RX7 (1.00) P2RX7
SCHEMBL20099705 0.89 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 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