SCHEMBL17596276

SCHEMBL17596276

CC1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.59
TACR3 P29371 1/20 0.46
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL17596277 1.00 P2RX7 (0.59) P2RX7TACR3GAATSHR
SCHEMBL17596464 0.89 P2RX7 (0.52) P2RX7TACR3
SCHEMBL17596463 0.89 P2RX7 (0.52) P2RX7TACR3
SCHEMBL21253552 0.79 P2RX7 (0.43) P2RX7
SCHEMBL20099682 0.79 P2RX7 (0.43) P2RX7
SCHEMBL5653362 0.77 DPP4 (0.49) P2RX7
SCHEMBL16027635 0.77 P2RX7 (0.59) P2RX7
SCHEMBL16027633 0.77 P2RX7 (0.59) P2RX7
SCHEMBL21253287 0.77 P2RX7 (0.36) P2RX7
SCHEMBL20099681 0.77 P2RX7 (0.36) 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