SCHEMBL19906845

SCHEMBL19906845

COc1cn(Cc2ccc3ccccc3c2)c(NC2=C(C)C(Cl)=CCC2)nc1=O

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.54

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
SCHEMBL20107081 0.89 P2RX7 (0.63) P2RX7
SCHEMBL20107043 0.89 P2RX7 (0.65) P2RX7
SCHEMBL20107083 0.85 P2RX7 (0.62) P2RX7
SCHEMBL20107079 0.85 P2RX7 (0.67) P2RX7
SCHEMBL20106958 0.82 P2RX7 (0.62) P2RX7
SCHEMBL19906848 0.78 P2RX7 (0.82) P2RX7
SCHEMBL20107097 0.78 P2RX7 (0.61) P2RX7
SCHEMBL20106974 0.75 P2RX7 (0.63) P2RX7
SCHEMBL20106824 0.75 P2RX7 (0.64) P2RX7
SCHEMBL19906526 0.75 P2RX7 (0.62) 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