SCHEMBL3402133

SCHEMBL3402133

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CHRM2 P08172 12/20 0.32
CHRM4 P08173 12/20 0.32
CHRM5 P08912 12/20 0.32
CHRM1 P11229 12/20 0.32
CHRM3 P20309 12/20 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
SCHEMBL3400563 1.00 POLB (0.34) POLBCHRM2CHRM4CHRM5CHRM1
SCHEMBL14136838 1.00 POLB (0.34) POLBCHRM2CHRM4CHRM5CHRM1
SCHEMBL4702729 0.96 CHRM2 (0.33) POLBCHRM2CHRM4CHRM5CHRM1
SCHEMBL3403167 0.90 POLB (0.35) POLB
SCHEMBL2687375 0.90 POLB (0.35) POLB
SCHEMBL2346750 0.90 POLB (0.35) POLB
SCHEMBL3399866 0.82 KMT2A (0.38)
SCHEMBL3402893 0.82 KMT2A (0.38)
SCHEMBL3402447 0.82 KMT2A (0.38)
SCHEMBL3400583 0.81 DPP4 (0.34)

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 9 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
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
EP-2252611-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. Organon (NL) 2010-11-24 EP 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-2009098283-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2009-08-13 WO disclosed