SCHEMBL3397974

SCHEMBL3397974

NC(=O)C1C[CH]CCN1C(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB3 Q05901 2/20 0.32
CHRNA6 Q15825 2/20 0.32
GAA P10253 1/20 0.31
HSD11B1 P28845 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 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
SCHEMBL3961662 0.82 HTT (0.31)
SCHEMBL3403085 0.81 MEN1 (0.35) SMN1; SMN2TSHR
SCHEMBL3209002 0.79
SCHEMBL2343350 0.79 POLB (0.33)
SCHEMBL2686748 0.76 DPP4 (0.31)
SCHEMBL3968810 0.76 DPP4 (0.37)
SCHEMBL11540429 0.74 ACE (0.42) MAPTHPGD
SCHEMBL3399329 0.73
SCHEMBL985558 0.73 REN (0.32)
SCHEMBL4351850 0.72 DPP4 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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