SCHEMBL4375387

SCHEMBL4375387

CN(C)C(=O)c1n[c]ccn1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6294702 0.78
SCHEMBL2039206 0.75
SCHEMBL9987095 0.74 P2RX7 (0.43) P2RX7ALDH1A1
SCHEMBL12471131 0.74 P2RX7 (0.36) P2RX7ALDH1A1
SCHEMBL5762500 0.74
SCHEMBL12470968 0.73 NPSR1 (0.35) P2RX7ALDH1A1
SCHEMBL6277572 0.65
SCHEMBL2447373 0.65 ALDH1A1 (0.33) ALDH1A1
SCHEMBL38660994 0.65 ALOX15 (0.41) ALDH1A1
SCHEMBL1670929 0.65 ALOX15 (0.41) ALDH1A1

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
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO claimed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed