SCHEMBL7272870

SCHEMBL7272870

CCCCn1c(=O)n(CCCCCCNC)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
PGR P06401 1/20 0.48
RORA P35398 1/20 0.48
RORC P51449 1/20 0.48
RORB Q92753 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7274898 0.86 TSHR (0.51) SLC6A2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28002722 0.85 CNR2 (0.56) CNR2PGRRORARORCRORB
SCHEMBL30484777 0.85 CNR2 (0.56) CNR2PGRRORARORCRORB
SCHEMBL8862370 0.85 CNR2 (0.56) CNR2PGRRORARORCRORB
SCHEMBL25318908 0.85 CNR2 (0.56) CNR2PGRRORARORCRORB
SCHEMBL25316072 0.85 CNR2 (0.56) CNR2PGRRORARORCRORB
SCHEMBL30484776 0.85 CNR2 (0.56) CNR2PGRRORARORCRORB
SCHEMBL6421284 0.84 CNR2 (0.57) CNR2PGRRORARORCRORB
SCHEMBL10542753 0.83 CNR2 (0.57) CNR2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7272225 0.82 L3MBTL1 (0.46) SLC6A2SLC6A4PGRL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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