SCHEMBL3399333

SCHEMBL3399333

NC1CCN(C(=O)C2(O)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 10/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CACNA1B Q00975 2/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL3398922 0.88 FASN (0.34) FASNGNAI3GNAO1GNAI1CHRM2
SCHEMBL3400037 0.88 FASN (0.34) FASNGNAI3GNAO1GNAI1CHRM2
SCHEMBL14949537 0.80 GAA (0.47) CHRM1
SCHEMBL25013988 0.80 GNAI3 (0.34) GNAI3GNAO1GNAI1CHRM2CHRM1
SCHEMBL5489277 0.79
SCHEMBL14949538 0.79 CHRM2 (0.41) FASNCHRM2CHRM1CHRM3
SCHEMBL12436944 0.76 FASN (0.37) FASNTLR9TLR8TLR7
SCHEMBL4755080 0.76 FASN (0.37) FASNTLR9TLR8TLR7
SCHEMBL4755086 0.76 FASN (0.37) FASNTLR9TLR8TLR7
SCHEMBL31239745 0.75 HSD11B1 (0.45) FASN

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