SCHEMBL5707155

SCHEMBL5707155

NC(=O)C1CCN(N2CCC(O)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.40
APEX1 P27695 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.38
CHRM1 P11229 1/20 0.38
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28372145 0.84 SMN1; SMN2 (0.52) SMN1; SMN2GAAALDH1A1TDP1CYP3A4
SCHEMBL1384786 0.82 SMN1; SMN2 (0.50) SMN1; SMN2GAAALDH1A1TDP1CYP3A4
Hydrochloric Acid SCHEMBL8411684 0.80 SMN1; SMN2 (0.48) SMN1; SMN2GAAALDH1A1TDP1CYP3A4
SCHEMBL14738266 0.78 SMN1; SMN2 (0.43) SMN1; SMN2GAAALDH1A1TDP1CYP3A4
SCHEMBL481567 0.78 SMN1; SMN2 (0.43) SMN1; SMN2GAAALDH1A1TDP1CYP3A4
SCHEMBL482065 0.78 SMN1; SMN2 (0.43) SMN1; SMN2GAAALDH1A1TDP1CYP3A4
SCHEMBL16321213 0.77 GPR119 (0.48)
Hydrochloric Acid SCHEMBL3266707 0.75 SMN1; SMN2 (0.41) SMN1; SMN2GAAALDH1A1TDP1CYP3A4
SCHEMBL11627004 0.75 TP53 (0.53) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL7428953 0.73 SMN1; SMN2 (0.56) SMN1; SMN2GAAALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718305-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES Bayer CropScience AG (DE) 2006-11-08 EP claimed
WO-2005079798-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES BAYER CROPSCIENCE AG (DE) 2005-09-01 WO claimed