SCHEMBL14949537

SCHEMBL14949537

NC(=O)C1CCN(C(=O)C2(O)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
CHRM1 P11229 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
APEX1 P27695 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12436944 0.81 FASN (0.37) GAAALDH1A1MEN1KMT2A
SCHEMBL3399333 0.80 FASN (0.39) CHRM1
SCHEMBL5489277 0.76
SCHEMBL14949538 0.76 CHRM2 (0.41) CHRM1
SCHEMBL7358278 0.74 GAA (0.57) GAASMN1; SMN2ALDH1A1KDM4EPKM
SCHEMBL4755086 0.73 FASN (0.37)
SCHEMBL3400037 0.73 FASN (0.34) CHRM1
SCHEMBL4755080 0.73 FASN (0.37)
SCHEMBL3398922 0.73 FASN (0.34) CHRM1
SCHEMBL16064877 0.73 HSD11B1 (0.62) SMN1; SMN2ALDH1A1KDM4ETSHRMEN1

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
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