SCHEMBL7272865

SCHEMBL7272865

CNCCCCCCn1c(=O)n(CCN2CCOCC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.49
CNR1 P21554 2/20 0.49
ABCB1 P08183 1/20 0.46
HTR7 P34969 1/20 0.44

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
Hydrochloric Acid SCHEMBL7267283 0.99 CNR2 (0.48) CNR2CNR1ABCB1HTR7
SCHEMBL10539289 0.84 KDM4E (0.51) CNR2CNR1HTR7
SCHEMBL7057627 0.82 CNR2 (0.49) CNR2CNR1ABCB1HTR7
SCHEMBL7272870 0.80 CNR2 (0.49) CNR2
SCHEMBL13354921 0.78 CNR2 (0.53) CNR2CNR1HTR7
SCHEMBL7274898 0.78 TSHR (0.51)
SCHEMBL7265554 0.78 CNR2 (0.49) CNR2CNR1HTR7
SCHEMBL7057530 0.77 CNR2 (0.52) CNR2CNR1HTR7
SCHEMBL7103505 0.76 PAOX (0.53)
SCHEMBL13588573 0.75 CNR2 (0.72) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1028991-C Tetrahydronaphthalene derivatives HOFFMANN LA ROCHE (CH) 1995-06-21 CN disclosed
EP-0268148-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4808605-A Tetrahydronaphthalene derivatives as calcium antagonists HOFFMANN-LA ROCHE INC. (US) 1989-02-28 US disclosed
EP-0268148-A1 Tetrahydronaphthalene derivatives and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-05-25 EP disclosed
CN-87107875-A TETRAHYDRONAPHTHALENE DERIVATIVES 1988-05-25 CN disclosed