SCHEMBL19906536

SCHEMBL19906536

Cc1ccc(N2CCC[S+]2[O-])cc1Nc1nc(=O)c(F)cn1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.68

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
SCHEMBL19906953 0.90 P2RX7 (0.68) P2RX7
SCHEMBL19906911 0.82 P2RX7 (0.78) P2RX7
SCHEMBL19906540 0.81 P2RX7 (1.00) P2RX7
SCHEMBL20106830 0.74 P2RX7 (1.00) P2RX7
SCHEMBL19906877 0.74 P2RX7 (1.00) P2RX7
SCHEMBL19906519 0.74 P2RX7 (1.00) P2RX7
SCHEMBL19907588 0.74 P2RX7 (0.81) P2RX7
SCHEMBL19907159 0.73 P2RX7 (1.00) P2RX7
SCHEMBL19907355 0.73 P2RX7 (1.00) P2RX7
SCHEMBL19907630 0.73 P2RX7 (0.90) 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-3287443-A1 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Shionogi & Co., Ltd (JP) 2018-02-28 EP disclosed