SCHEMBL17596294

SCHEMBL17596294

CC1Cn2c(nnc2-c2ccco2)CN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.50
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TACR3 P29371 1/20 0.39

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
SCHEMBL21253552 0.85 P2RX7 (0.43) P2RX7
SCHEMBL20099682 0.85 P2RX7 (0.43) P2RX7
SCHEMBL17596616 0.80 P2RX7 (0.76) P2RX7
SCHEMBL17596615 0.80 P2RX7 (0.76) P2RX7
SCHEMBL12905247 0.71 P2RX7 (0.48) P2RX7KDM4EALDH1A1HPGD
SCHEMBL17595651 0.68 P2RX7 (0.75) P2RX7
SCHEMBL17596191 0.67 P2RX7 (1.00) P2RX7
SCHEMBL17596480 0.67 P2RX7 (1.00) P2RX7
SCHEMBL17596272 0.67 P2RX7 (0.86) P2RX7
SCHEMBL17595636 0.66 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