SCHEMBL8065670

SCHEMBL8065670

C=CCC(=O)NCCc1cc(-c2ccccc2)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.55
MTNR1A P48039 15/20 0.51
MTNR1B P49286 12/20 0.51

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
SCHEMBL6249183 0.87 NQO2 (0.53) NQO2MTNR1AMTNR1B
SCHEMBL8068508 0.85 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL8065822 0.84 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL8054334 0.82 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL8064920 0.79 MTNR1A (0.56) NQO2MTNR1AMTNR1B
SCHEMBL8065738 0.78 MTNR1A (0.52) NQO2MTNR1AMTNR1B
SCHEMBL8070297 0.76 MTNR1A (0.58) NQO2MTNR1AMTNR1B
SCHEMBL6245834 0.74 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL28331303 0.73 HDAC3 (0.55)
SCHEMBL27640734 0.73 NQO2 (0.61) NQO2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143789-A ENANTIOMORPHS ADIR ET COMPAGNIE (FR) 2000-11-07 US disclosed
EP-0919541-A1 Naphthalene compounds, process for their preparation and their pharmaceutical compositions ADIR ET COMPAGNIE (FR) 1999-06-02 EP disclosed