SCHEMBL3399349

SCHEMBL3399349

NC1CCC(NC(=O)C2CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
SMYD3 Q9H7B4 12/20 0.54
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3210529 1.00 POLB (0.57) POLBSMYD3L3MBTL1HSD17B10MAPK1
SCHEMBL3210521 1.00 POLB (0.57) POLBSMYD3L3MBTL1HSD17B10MAPK1
SCHEMBL21490070 1.00 POLB (0.57) POLBSMYD3L3MBTL1HSD17B10MAPK1
SCHEMBL8235358 1.00 POLB (0.57) POLBSMYD3L3MBTL1HSD17B10MAPK1
SCHEMBL19701343 1.00 POLB (0.57) POLBSMYD3L3MBTL1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL987518 0.98 POLB (0.55) POLBSMYD3L3MBTL1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL987519 0.98 POLB (0.55) POLBSMYD3L3MBTL1HSD17B10MAPK1
SCHEMBL3808039 0.90 L3MBTL1 (0.50) POLBSMYD3L3MBTL1MAPK1ALDH1A1
SCHEMBL12101939 0.90 POLB (0.52) POLBSMYD3L3MBTL1MAPK1ALDH1A1
SCHEMBL19739542 0.90 POLB (0.52) POLBSMYD3L3MBTL1MAPK1ALDH1A1

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 7 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
WO-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed