SCHEMBL5779137

SCHEMBL5779137

CC(C)C([O])N1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
OPRD1 P41143 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL382662 0.79
SCHEMBL11226280 0.74 MEN1 (0.37) CHRM2CHRM1MEN1KMT2ACHRM5
SCHEMBL28155645 0.74 MEN1 (0.37) CHRM2CHRM1MEN1KMT2ACHRM5
SCHEMBL17209 0.74
SCHEMBL3955463 0.74 FDPS (0.37) CYP2D6SLC6A2SLC6A4
SCHEMBL7784004 0.74
SCHEMBL8305052 0.74 MEN1 (0.37) CHRM2CHRM1MEN1KMT2ACHRM5
SCHEMBL12259537 0.74 MEN1 (0.37) CHRM2CHRM1MEN1KMT2ACHRM5
SCHEMBL5387 0.73
SCHEMBL1706403 0.73 MEN1 (0.39) CHRM2CHRM1MEN1KMT2ACHRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP claimed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP claimed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO claimed