SCHEMBL19906636

SCHEMBL19906636

COc1cn(Cc2ccccc2)c(NC2CCCc3ccccc32)nc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 1.00

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
SCHEMBL20107103 1.00 P2RX7 (1.00) P2RX7
SCHEMBL22420510 1.00 P2RX7 (1.00) P2RX7
SCHEMBL19907049 0.94 P2RX7 (1.00) P2RX7
SCHEMBL19907147 0.94 P2RX7 (1.00) P2RX7
SCHEMBL20107015 0.94 P2RX7 (1.00) P2RX7
SCHEMBL22420530 0.88 P2RX7 (1.00) P2RX7
SCHEMBL20107102 0.85 P2RX7 (0.73) P2RX7
SCHEMBL22420578 0.82 P2RX7 (1.00) P2RX7
SCHEMBL19906631 0.82 P2RX7 (0.69) P2RX7
SCHEMBL19907552 0.80 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 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