SCHEMBL5261920

SCHEMBL5261920

COc1ccc2c(c1)CC(CNC(C)=O)CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 1.00
TP53 P04637 3/20 0.54
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.48
MTNR1B P49286 1/20 0.47

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
SCHEMBL5228871 0.88 MTNR1A (1.00) MTNR1ATP53LMNAPOLBMTNR1B
SCHEMBL7822666 0.87 MTNR1A (0.77) MTNR1ATP53LMNAPOLBMTNR1B
SCHEMBL5227633 0.86 MTNR1A (0.76) MTNR1ATP53LMNAMTNR1B
SCHEMBL5229036 0.85 MTNR1A (0.74) MTNR1ATP53LMNAPOLB
SCHEMBL7027043 0.84 MTNR1A (0.72) MTNR1ATP53LMNA
SCHEMBL5344278 0.84 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL5228827 0.83 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL5334595 0.82 MTNR1A (0.70) MTNR1ATP53MTNR1B
SCHEMBL5346519 0.82 MTNR1A (0.70) MTNR1ALMNAPOLBMTNR1B
SCHEMBL6076652 0.82 MTNR1A (0.70) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998471-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-03-14 EP disclosed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
EP-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP disclosed