SCHEMBL8897299

SCHEMBL8897299

CCC(N)C1CCC(C(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
CHRM1 P11229 1/20 0.35
ALOX5 P09917 1/20 0.34
MME P08473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SHBG P04278 1/20 0.33
PKM P14618 1/20 0.33
DPP4 P27487 4/20 0.32
DPP9 Q86TI2 4/20 0.32
DPP7 Q9UHL4 4/20 0.32
DPP8 Q6V1X1 3/20 0.32
BCHE P06276 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
Pyridine SCHEMBL27519300 0.86 ROCK2 (0.38) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL8275656 0.82 SMN1; SMN2 (0.38) SMN1; SMN2GAAALDH1A1ALOX5MME
SCHEMBL4429096 0.80 SMN1; SMN2 (0.46) SMN1; SMN2GAAALDH1A1MAPK1CHRM1
SCHEMBL5025923 0.80
SCHEMBL2427007 0.80
SCHEMBL6082609 0.80
SCHEMBL636865 0.80 SHBG (0.40) SHBG
SCHEMBL31067200 0.79 GAA (0.41) SMN1; SMN2GAAALDH1A1DPP4DPP9
SCHEMBL31067102 0.78 MAPT (0.45) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL31067225 0.78 GAA (0.40) SMN1; SMN2GAAALDH1A1DPP4DPP9

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-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed