SCHEMBL6275548

SCHEMBL6275548

CC(=O)N1C(C)(C)CC(CCCCCCCCCCCCCCCCCCN2C(=O)CCC2=O)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
CHRM2 P08172 7/20 0.34
CHRM4 P08173 7/20 0.34
CHRM5 P08912 7/20 0.34
CHRM1 P11229 7/20 0.34
CHRM3 P20309 7/20 0.34
ALDH1A1 P00352 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.33
ALPL P05186 1/20 0.33
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 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
SCHEMBL5352288 1.00 SMN1; SMN2 (0.38) SMN1; SMN2HTTHPGDCHRM2CHRM4
SCHEMBL757831 0.85 SMN1; SMN2 (0.37) SMN1; SMN2HTTHPGDCHRM2CHRM4
SCHEMBL1424720 0.84 FAAH (0.38) SMN1; SMN2HTTHPGDCHRM2CHRM4
SCHEMBL701952 0.80
SCHEMBL1535635 0.79 SMN1; SMN2 (0.37) SMN1; SMN2HTTHPGDCHRM2CHRM4
SCHEMBL295613 0.77 CHRM2 (0.37) SMN1; SMN2HTTHPGDCHRM2CHRM4
SCHEMBL9741341 0.70 KMT2A (0.31) KMT2A
SCHEMBL8829438 0.68 MGLL (0.52) SMN1; SMN2HTTHPGDALDH1A1FAAH
SCHEMBL8629340 0.68 MGLL (0.52) SMN1; SMN2HTTHPGDALDH1A1FAAH
SCHEMBL8862703 0.68 MGLL (0.52) SMN1; SMN2HTTHPGDALDH1A1FAAH

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-2005059011-A1 MELAMINE RESIN DISPERSION AMI AGROLINZ MELAMINE INTERNATIONAL GMBH (AT) 2005-06-30 WO disclosed