SCHEMBL797400

SCHEMBL797400

Cc1[c]cnc(C(C)C)n1

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
SCHEMBL789644 0.79 SORD (0.31)
SCHEMBL14482163 0.76
SCHEMBL797013 0.76
SCHEMBL797721 0.72
SCHEMBL797579 0.72
SCHEMBL353253 0.70
SCHEMBL791250 0.68 NOS3 (0.32)
SCHEMBL743560 0.67
SCHEMBL352005 0.67
SCHEMBL790340 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030553-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP claimed
WO-2015019103-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2015-02-12 WO claimed
EP-3030553-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
EP-2550264-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-06-08 EP disclosed
US-9137986-B2 Mixed agrochemical emulsion composition comprising organic phosphorous pesticide and chlorpicrin ISHIHARA SANGYO KAISHA, LTD. (JP) 2015-09-22 US disclosed
US-9040537-B2 Pyridazine compounds for controlling invertebrate pests BASF SE (DE) 2015-05-26 US disclosed
WO-2015019103-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2015-02-12 WO disclosed
US-20140235589-A1 MIXED AGROCHEMICAL EMULSION COMPOSITION COMPRISING ORGANIC PHOSPHOROUS PESTICIDE AND CHLORPICRIN ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-08-21 US disclosed
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
EP-2550264-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-01-30 EP disclosed
US-20130012380-A1 Pyridazine Compounds For Controlling Invertebrate Pests BASF SE (DE) 2013-01-10 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 WO disclosed
WO-2011117286-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-09-29 WO disclosed
US-7019046-B2 Aqueous suspension agent for water insoluble compounds ISP INVESTMENTS INC. (US) 2006-03-28 US disclosed