SCHEMBL3403085

SCHEMBL3403085

CCC(=O)N1CC[CH]CC1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 3/20 0.32
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4351850 0.87 DPP4 (0.35) SMN1; SMN2DPP4
SCHEMBL2686748 0.85 DPP4 (0.31) DPP4
SCHEMBL3968810 0.85 DPP4 (0.37) DPP4
SCHEMBL2687094 0.83 DPP4 (0.33) DPP4
SCHEMBL2687833 0.83 KDM4E (0.33) TSHRSMN1; SMN2DPP4POLB
SCHEMBL3397974 0.81 MAPT (0.36) TSHRSMN1; SMN2
SCHEMBL2343350 0.81 POLB (0.33) POLB
SCHEMBL3961662 0.80 HTT (0.31) HTT
SCHEMBL19502817 0.80 DPP4 (0.33) DPP4
SCHEMBL15123985 0.78 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2TDP1

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 6 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
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP claimed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO 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