SCHEMBL8669796

SCHEMBL8669796

CCC(=O)NC(Cc1c(OC)ccc2ccc(OC)cc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.63
MTNR1B P49286 13/20 0.63
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
HTR2C P28335 2/20 0.45

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
SCHEMBL8673938 0.89 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1ALOX15HTR2C
SCHEMBL8671940 0.87 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1ALOX15
SCHEMBL8883217 0.77 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL8600249 0.77 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL8669828 0.75 KMT2A (0.49) MTNR1AMTNR1BALDH1A1ALOX15
SCHEMBL7741711 0.74 MTNR1A (0.59) MTNR1AMTNR1B
SCHEMBL10449718 0.74 LDHA (0.64) ALDH1A1ALOX15
SCHEMBL9352780 0.74 LDHA (0.64) ALDH1A1ALOX15
SCHEMBL9352784 0.74 LDHA (0.64) ALDH1A1ALOX15
SCHEMBL7010632 0.73 MTNR1A (0.55) MTNR1AMTNR1BHTR2C

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-5849781-A Tricyclic amides ADIR ET COMPAGNIE (FR) 1998-12-15 US disclosed
US-5712312-A MELATONINERGIC RECEPTOR LIGANDS, TREATMENT OF SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed