SCHEMBL3396829

SCHEMBL3396829

C[C@H](O)C(=O)N1CCC(C(N)=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
CHRM1 P11229 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL15516138 1.00 GAA (0.51) GAAALDH1A1SMN1; SMN2CHRM1TDP1
SCHEMBL15520871 1.00 GAA (0.51) GAAALDH1A1SMN1; SMN2CHRM1TDP1
SCHEMBL3400414 0.89 GAA (0.45) GAAALDH1A1SMN1; SMN2
SCHEMBL20385047 0.89 GAA (0.45) GAAALDH1A1SMN1; SMN2
SCHEMBL4546658 0.86 GAA (0.53) GAAALDH1A1SMN1; SMN2CHRM1TDP1
SCHEMBL14009821 0.82 MEN1 (0.44) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14009822 0.82 MEN1 (0.44) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4756275 0.82 LMNA (0.49) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4754510 0.82 LMNA (0.49) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4757581 0.82 LMNA (0.49) GAAALDH1A1SMN1; SMN2MEN1KMT2A

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
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO disclosed