SCHEMBL8406956

SCHEMBL8406956

COc1c2c(cc3ccccc13)CCC(NC(=O)C1CCC1)C2

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.56
MTNR1B P49286 11/20 0.56
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NQO2 P16083 1/20 0.40
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8407080 0.96 MTNR1A (0.61) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8408962 0.86 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8409531 0.83 MTNR1A (0.61) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8406946 0.83 MTNR1A (0.44) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8409866 0.83 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8409922 0.79 CYP1A2 (0.47) MTNR1AMTNR1BCYP1A2MAPTKDM4E
SCHEMBL8409643 0.78 MTNR1A (0.61) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8406908 0.74 ADRA1A (0.48)
SCHEMBL81120 0.72 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8410102 0.68 MTNR1A (0.59) MTNR1AMTNR1BMAPTALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737670-B1 Tricyclic amides, processes for their preparation, and pharmaceutical compositions containing them ADIR (FR) 1999-07-21 EP disclosed
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
EP-0737670-A1 Tricyclic amides, processes for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-10-16 EP disclosed