SCHEMBL3400583

SCHEMBL3400583

C[C@H](O)C(=O)N1CCC[CH][C@H]1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.34
DPP7 Q9UHL4 9/20 0.34
PREP P48147 5/20 0.34
FAP Q12884 6/20 0.33
DPP8 Q6V1X1 5/20 0.33
DPP9 Q86TI2 4/20 0.33
PIN1 Q13526 1/20 0.32
PITRM1 Q5JRX3 1/20 0.32

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
SCHEMBL3399854 1.00 DPP4 (0.34) DPP4DPP7PREPFAPDPP8
SCHEMBL14311832 0.90 PIN1 (0.31) PIN1
SCHEMBL3424333 0.90 PIN1 (0.31) PIN1
SCHEMBL3397410 0.90 PIN1 (0.31) PIN1
SCHEMBL3400563 0.81 POLB (0.34)
SCHEMBL3402133 0.81 POLB (0.34)
SCHEMBL14136838 0.81 POLB (0.34)
SCHEMBL3399177 0.80 PIN1 (0.37) PIN1
SCHEMBL4702729 0.78 CHRM2 (0.33)
SCHEMBL3402447 0.75 KMT2A (0.38)

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