SCHEMBL7012333

SCHEMBL7012333

COc1ccc2cccc(C3CC3NC(C)=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 1.00
MTNR1B P49286 10/20 1.00
HTR2C P28335 2/20 0.49
HTR2B P41595 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7094759 1.00 MTNR1A (1.00) MTNR1AMTNR1BHTR2CHTR2BSMN1; SMN2
SCHEMBL7011682 0.87 MTNR1A (0.77) MTNR1AMTNR1BHTR2C
SCHEMBL7006961 0.87 MTNR1A (0.77) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7098772 0.87 MTNR1A (0.77) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7231439 0.87 MTNR1A (0.77) MTNR1AMTNR1BHTR2C
SCHEMBL7007743 0.86 MTNR1A (0.76) MTNR1AMTNR1B
SCHEMBL7235613 0.86 MTNR1A (0.76) MTNR1AMTNR1B
SCHEMBL7006478 0.81 MTNR1A (1.00) MTNR1AMTNR1BHTR2CSMN1; SMN2NPSR1
SCHEMBL7230881 0.81 MTNR1A (1.00) MTNR1AMTNR1BHTR2CSMN1; SMN2NPSR1
SCHEMBL7231435 0.79 MTNR1A (0.65) MTNR1AMTNR1BHTR2CHTR2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583319-B1 Treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-06-24 US claimed
EP-0994102-B1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-19 EP claimed
EP-0994102-A1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-04-19 EP claimed
US-6583319-B1 Treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-06-24 US disclosed
EP-0994102-B1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-19 EP disclosed
JP-2000136173-A NEW CYCLIC COMPOUND HAVING CYCLOALKYLENE CHAIN, PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME COMPOUND ADIR 2000-05-16 JP disclosed
EP-0994102-A1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-04-19 EP disclosed