SCHEMBL3718708

SCHEMBL3718708

CC(N)c1ccncn1

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
SCHEMBL28803015 1.00
Hydrochloric Acid SCHEMBL26985693 0.98 HSP90AA1 (0.43)
Hydrochloric Acid SCHEMBL3709906 0.98 HSP90AA1 (0.43)
SCHEMBL29448509 0.81
SCHEMBL84451 0.81
Water SCHEMBL8524004 0.79 HSP90AA1 (0.41)
SCHEMBL19413126 0.77 HSP90AA1 (0.39)
SCHEMBL5340555 0.77
SCHEMBL21918669 0.77
SCHEMBL29857995 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO claimed
EP-3826721-B1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2023-10-11 EP disclosed
US-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-18 US disclosed
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 EP disclosed
EP-3798217-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-03-31 EP disclosed
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-10 US disclosed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 US disclosed
CN-110563717-A piperidine CXCR7receptor modulators 爱杜西亚药品有限公司 2019-12-13 CN disclosed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 WO disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO disclosed
US-4500452-A NOT SUBJECT TO ENZYME DEACTIVATION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-02-19 US disclosed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US disclosed
US-4006239-A Benzoic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed