SCHEMBL19940211

SCHEMBL19940211

NCC(c1scnc1C1CC1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.42
▸ P2RX7 Q99572 17/20 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
SCHEMBL17001527 0.83 P2RX7 (0.54) P2RX7
SCHEMBL16995066 0.81 P2RX7 (0.56) DPP4P2RX7
SCHEMBL17001577 0.80 P2RX7 (0.51) DPP4P2RX7
SCHEMBL19940615 0.76 ALDH1A1 (0.43) P2RX7
SCHEMBL15129234 0.72 P2RX7 (0.48) DPP4P2RX7
SCHEMBL16995121 0.71 P2RX7 (0.47) DPP4P2RX7
SCHEMBL16995067 0.71 DPP4 (0.46) DPP4P2RX7
SCHEMBL16461271 0.69 P2RX7 (0.54) DPP4P2RX7
SCHEMBL15797470 0.69 P2RX7 (0.52) DPP4P2RX7
SCHEMBL24522590 0.68 P2RX7 (0.41) 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-3290417-A1 2-CHLORO-N-[2-(1,3-THIAZOL-5-YL)ETHYL]-5-(5-FLUOROPYRIMIDIN-2-YL)-BENZAMIDES AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS AXXAM S.p.A. (IT) 2018-03-07 — — EP disclosed
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