SCHEMBL3390030

SCHEMBL3390030

NC(=O)C1C=CCNC1

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
SCHEMBL10372744 0.80
SCHEMBL9496924 0.78
Hydrochloric Acid SCHEMBL25308672 0.78 EGLN1 (0.43)
SCHEMBL15577373 0.77
SCHEMBL27584672 0.74 CHRNB2 (0.40)
SCHEMBL2536727 0.70
SCHEMBL6780565 0.68
SCHEMBL8693124 0.65
SCHEMBL2537740 0.65
SCHEMBL13472088 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102762576-B Benzoxazepine PI3K inhibitor compounds and methods of use HOFFMANN LA ROCHE 2015-04-22 CN claimed
EP-0083378-A1 Tetrahydronicotinamide derivatives, a process for producing the same and a pharmaceutical composition comprising the same Chugai Seiyaku Kabushiki Kaisha (JP) 1983-07-13 EP claimed
US-4361572-A Tetrahydronicotinamide derivative, pharmaceutical compositions and use CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1982-11-30 US claimed
US-8980907-B2 Dendrimer conjugates THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-03-17 US disclosed
US-8889635-B2 Dendrimer conjugates THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-18 US disclosed
US-20140128327-A1 DENDRIMER CONJUGATES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-08 US disclosed
US-20100160299-A1 DENDRIMER CONJUGATES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-06-24 US disclosed
WO-2010039861-A2 DENDRIMER CONJUGATES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-04-08 WO disclosed
CN-101578100-A Use of neuroprotective compounds for obtaining drugs for treating neurodegenerative diseases SERVIER LAB (FR) 2009-11-11 CN disclosed
CN-101257905-A Novel 1h-indole-pyridinecarboxamide derivatives and 1h-indole-piperidinecarboxamide and their use as hydroxalase tyrosine inducers SERVIER LAB (FR) 2008-09-03 CN disclosed
US-6894168-B2 Carbamoyl tetrahydropyridine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-05-17 US disclosed
EP-0083378-A1 Tetrahydronicotinamide derivatives, a process for producing the same and a pharmaceutical composition comprising the same Chugai Seiyaku Kabushiki Kaisha (JP) 1983-07-13 EP disclosed
US-4361572-A Tetrahydronicotinamide derivative, pharmaceutical compositions and use CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1982-11-30 US disclosed