SCHEMBL4354040

SCHEMBL4354040

CN(C)CCN(C)C(=O)c1cc[c]nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
PARP1 P09874 2/20 0.37
HRH4 Q9H3N8 2/20 0.37
ATR Q13535 2/20 0.37
MCHR1 Q99705 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
IKBKB O14920 2/20 0.35
PDK1 Q15118 2/20 0.35
PDE7A Q13946 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
DRD2 P14416 1/20 0.35
ESRRG P62508 1/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL23213100 0.85 HDAC4 (0.38) HDAC4ESRRG
SCHEMBL188973 0.81 ALDH1A1 (0.41) HDAC4
SCHEMBL2345575 0.80 BRD4 (0.37) ESRRG
SCHEMBL23036843 0.80 HPGD (0.45)
SCHEMBL182328 0.80 HDAC4 (0.45) HDAC4PARP1HRH4ATRMCHR1
SCHEMBL23213275 0.79 MLYCD (0.40) IKBKB
SCHEMBL5423649 0.77 HDAC1 (0.47) HDAC4ATRCHRM2CHRM4CHRM5
SCHEMBL15477469 0.74 HTT (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23213117 0.73 POLB (0.42) EGLN1
SCHEMBL13403419 0.73 GABRP (0.50) HDAC4ATRADORA2AADORA1IKBKB

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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed