SCHEMBL24222014

SCHEMBL24222014

COC(=O)[C@@H](NC(=O)c1cn(CCCCF)c2ccccc12)C(C)(C)C

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 20/20 0.98
▸ CNR1 P21554 17/20 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
SCHEMBL29275145 0.99 CNR2 (1.00) CNR2CNR1
SCHEMBL24221988 0.99 CNR2 (1.00) CNR2CNR1
SCHEMBL29871399 0.99 CNR2 (1.00) CNR2CNR1
SCHEMBL31052985 0.91 CNR2 (0.81) CNR2CNR1
SCHEMBL31571484 0.90 CNR2 (0.83) CNR2CNR1
SCHEMBL29275143 0.90 CNR2 (0.83) CNR2CNR1
SCHEMBL29871057 0.88 CNR2 (0.80) CNR2CNR1
SCHEMBL30641096 0.88 CNR2 (0.80) CNR2CNR1
SCHEMBL29988833 0.86 CNR2 (1.00) CNR2CNR1
SCHEMBL31571486 0.81 CNR2 (1.00) 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 1 patent. 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
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