SCHEMBL2004412

SCHEMBL2004412

C1=Nc2ccnnc2[N]1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL15663874 0.57
SCHEMBL219949 0.55 PKM (0.33)
SCHEMBL30323275 0.51
SCHEMBL2049728 0.49
SCHEMBL9684723 0.49
SCHEMBL3826627 0.49
SCHEMBL20113010 0.48
SCHEMBL587315 0.48
SCHEMBL4457 0.48
SCHEMBL13217924 0.48

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP claimed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO claimed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2672822-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2013-12-18 EP disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
WO-2012109491-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2012-08-16 WO disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008103866-A1 SYNTHESIS OF INDOLES MICROBIA, INC. (US) 2008-08-28 WO disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed