SCHEMBL1090604

SCHEMBL1090604

CNc1ncc(CCN(C)C)c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.33
METTL3 Q86U44 1/20 0.32

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
SCHEMBL1090404 0.84 P2RX3 (0.38) TKTTAAR1P2RX3P2RX2HRH3
SCHEMBL1090837 0.80 DHFR (0.44)
SCHEMBL19461895 0.79 TLR8 (0.43)
SCHEMBL2114974 0.79 RAB9A (0.47)
SCHEMBL2115272 0.78 TNK2 (0.42) TAAR1
SCHEMBL1090705 0.78 HDAC1 (0.39) HRH3
SCHEMBL2113390 0.78 NPC1 (0.52) TAAR1LMNA
SCHEMBL4891191 0.78 DHFR (0.45) TKTP2RX3P2RX2
SCHEMBL1090496 0.77 GRM5 (0.43) P2RX3P2RX2
SCHEMBL2114996 0.77 HTT (0.49) LMNA

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
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US disclosed