SCHEMBL7741108

SCHEMBL7741108

CCOC(=O)CC1Cc2cccc3cccc1c23

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.57
MTNR1B P49286 17/20 0.57
CYP1A2 P05177 1/20 0.41

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
SCHEMBL19984866 0.84 CYP1A2 (0.49) MTNR1AMTNR1BCYP1A2
SCHEMBL6634999 0.80 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL4590905 0.78 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL5573010 0.76 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL10447564 0.76 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL7741708 0.73 MTNR1B (0.66) MTNR1AMTNR1B
SCHEMBL3348647 0.73 CYP1A2 (0.47) MTNR1AMTNR1BCYP1A2
SCHEMBL30618514 0.73 CYP1A2 (0.47) MTNR1AMTNR1BCYP1A2
SCHEMBL13116633 0.73 CYP1A2 (0.44) MTNR1AMTNR1BCYP1A2
SCHEMBL6633601 0.73 MTNR1A (1.00) MTNR1AMTNR1B

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
CN-1247528-C Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same SIRVIR LAB (FR) 2006-03-29 CN disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed