SCHEMBL16201691

SCHEMBL16201691

CCCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.98
CNR1 P21554 6/20 0.98

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL29988966 1.00 CNR2 (0.98) CNR2CNR1
SCHEMBL16201689 1.00 CNR2 (0.98) CNR2CNR1
SCHEMBL29362566 1.00 CNR2 (0.98) CNR2CNR1
SCHEMBL29361900 0.99 CNR2 (1.00) CNR2CNR1
SCHEMBL1707018 0.99 CNR2 (1.00) CNR2CNR1
SCHEMBL29375790 0.95 CNR2 (1.00) CNR2CNR1
SCHEMBL11983320 0.95 CNR2 (1.00) CNR2CNR1
SCHEMBL6325191 0.90 CNR2 (1.00) CNR2CNR1
SCHEMBL29988839 0.90 CNR2 (1.00) CNR2CNR1
SCHEMBL11983311 0.89 CNR2 (0.78) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220026380-A1 NUCLEAR MAGNETIC RESONANCE IMPLEMENTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION HOFSTRA UNIVERSITY (US) 2022-01-27 US disclosed
EP-2989452-B1 NUCLEAR MAGNETIC RESONANCE BASED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION HOFSTRA UNIV (US) 2021-09-29 EP disclosed
US-11085891-B2 Nuclear magnetic resonance implemented synthetic indole and indazole cannabinoid detection, identification, and quantification HOFSTRA UNIVERSITY (US) 2021-08-10 US disclosed
US-20160084779-A1 NUCLEAR MAGNETIC RESONANCE IMPLEMENTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION HOFSTRA UNIVERSITY (US) 2016-03-24 US disclosed
US-20160084779-A1 NUCLEAR MAGNETIC RESONANCE IMPLEMENTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION HOFSTRA UNIVERSITY (US) 2016-03-24 US disclosed
WO-2014176542-A1 NUCLEAR MAGNETIC RESONANCE IMPLEMANTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DENTECTION, IDENTIFICATION, AND QUANTIFICATION HOFSTRA UNIVERSITY (US) 2014-10-30 WO disclosed