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Sugi Predict / Compounds / SCHEMBL7963615

SCHEMBL7963615

SCHEMBL7963615

COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccccc2I)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 12/20 1.00
▸ CNR2 P34972 3/20 1.00
▸ HTR1A P08908 2/20 1.00
▸ TSPO P30536 2/20 1.00
▸ OPRM1 P35372 2/20 1.00
▸ OPRK1 P41145 2/20 1.00

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
SCHEMBL7975030 0.91 CNR1 (0.84) CNR1CNR2HTR1ATSPOOPRM1
SCHEMBL3819916 0.88 CNR1 (0.79) CNR1CNR2HTR1ATSPOOPRM1
Jhu-75528 SCHEMBL31038583 0.84 CNR1 (1.00) CNR1CNR2HTR1ATSPOOPRM1
SCHEMBL7977816 0.79 CNR1 (0.65) CNR1CNR2HTR1ATSPOOPRM1
SCHEMBL3825752 0.75 CNR1 (1.00) CNR1CNR2OPRM1OPRK1
SCHEMBL10170758 0.75 CNR1 (1.00) CNR1CNR2OPRM1OPRK1
SCHEMBL4612148 0.75 CNR1 (0.80) CNR1CNR2HTR1ATSPOOPRM1
SCHEMBL3819909 0.74 CNR1 (0.61) CNR1CNR2HTR1ATSPOOPRM1
SCHEMBL4612839 0.73 CNR1 (0.91) CNR1CNR2OPRM1OPRK1
SCHEMBL3825455 0.73 CNR1 (0.59) CNR1CNR2HTR1ATSPOOPRM1

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
WO-2009140210-A2 RADIOTRACERS FOR IMAGING CANNABINOID SUB-TYPE1 (CB1) RECEPTOR THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-11-19 — — WO disclosed