SCHEMBL7267240

SCHEMBL7267240

O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.55
KDM4E B2RXH2 7/20 0.54
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PRKAG1 P54619 2/20 0.50
PRKAA2 P54646 2/20 0.50
PRKAB1 Q9Y478 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 4/20 0.49
ABCC4 O15439 1/20 0.49
C5 P01031 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
DRD2 P14416 1/20 0.49
TSHR P16473 1/20 0.49
RXRA P19793 1/20 0.49
TBXA2R P21731 1/20 0.49
NR4A1 P22736 1/20 0.49

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
SCHEMBL9193870 0.88 RXRA (0.51) CHRM1KDM4EKMT2AMEN1HPGD
SCHEMBL2845353 0.84 KDM4E (0.47) KDM4EKMT2AMEN1HPGDLMNA
SCHEMBL7265476 0.84 KDM4E (0.60) KDM4EKMT2AMEN1HPGDLMNA
SCHEMBL11147319 0.84 KDM4E (0.56) KDM4EKMT2AMEN1HPGDLMNA
SCHEMBL9518314 0.79 ADORA3 (0.56) KDM4EHPGDLMNAPTGS1PTGS2
SCHEMBL31106525 0.78 KDM4E (0.55) KDM4EKMT2AMEN1HPGDLMNA
SCHEMBL11848374 0.78 ALDH1A1 (0.52) KDM4EKMT2AMEN1HPGDLMNA
SCHEMBL9267822 0.78 KDM4E (0.50) KDM4EKMT2AMEN1HPGDLMNA
Ammonia Solution, Strong SCHEMBL27564581 0.78 ADORA3 (0.55) KDM4EHPGDLMNAPTGS1PTGS2
SCHEMBL9194841 0.77 TGFBR1 (0.47) KMT2AMEN1RXRAMAPK1RXRB

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