SCHEMBL8408962

SCHEMBL8408962

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.59
MTNR1B P49286 10/20 0.59
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 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
SCHEMBL8407080 0.88 MTNR1A (0.61) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8409531 0.87 MTNR1A (0.61) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8406946 0.86 MTNR1A (0.44) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8406956 0.86 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8409648 0.81 MTNR1A (0.59) MTNR1AMTNR1BMAPT
SCHEMBL8410102 0.81 MTNR1A (0.59) MTNR1AMTNR1BMAPT
SCHEMBL8409922 0.81 CYP1A2 (0.47) MTNR1AMTNR1BCYP1A2MAPT
SCHEMBL8406908 0.77 ADRA1A (0.48)
SCHEMBL3919777 0.75 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL11496541 0.72 MTNR1A (0.72) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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