SCHEMBL397802

SCHEMBL397802

c1nc2c(s1)CNCC2

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
SCHEMBL9500822 1.00 PNMT (0.41)
Hydrochloric Acid SCHEMBL12485568 0.98 DRD2 (0.40)
Hydrochloric Acid SCHEMBL22395725 0.98 DRD2 (0.40)
SCHEMBL3725694 0.94 DRD2 (0.38)
Urea SCHEMBL21906543 0.89 PNMT (0.40)
SCHEMBL3582148 0.88 DRD2 (0.39)
SCHEMBL550241 0.85 DRD2 (0.46)
Hydrochloric Acid SCHEMBL550220 0.83 DRD2 (0.44)
SCHEMBL1019988 0.83
Hydrochloric Acid SCHEMBL16054017 0.82 PNMT (0.44)

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 446 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 US claimed
US-20240016941-A1 COMBINATION THERAPY ANTABIO SAS (FR) 2024-01-18 US claimed
CN-111491918-B Aryl and heteroaryl substituted indole compounds 百时美施贵宝公司 2023-10-24 CN claimed
EP-3601224-B1 CHEMICAL COMPOUNDS AS ANTIBIOTICS ANTABIO SAS (FR) 2023-07-05 EP claimed
CN-110914238-B Compounds as antibiotics 安塔比奥公司 2023-06-20 CN claimed
US-20230082516-A1 15-PGDH INHIBITOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2023-03-16 US claimed
EP-4125883-A1 COMBINATION THERAPY Antabio SAS (FR) 2023-02-08 EP claimed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO claimed
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP claimed
WO-2021191240-A1 COMBINATION THERAPY ANTABIO SAS (FR) 2021-09-30 WO claimed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO claimed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO claimed
EP-2049548-A1 FUSED OXAZOLES &amp; THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP claimed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO claimed
WO-2008012010-A1 FUSED OXAZOLES &amp; THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 WO claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed