SCHEMBL7202243

SCHEMBL7202243

COc1ccc2c(c1)CC(CC(=O)N(C)c1ccccc1)CO2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.57
ALOX5 P09917 1/20 0.50
TP53 P04637 5/20 0.45
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
MALT1 Q9UDY8 1/20 0.43
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7297144 0.79 MTNR1A (0.63) MTNR1AALOX5TP53LMNAMAPT
SCHEMBL5228137 0.75 MTNR1A (0.67) MTNR1AALOX5TP53LMNAMAPT
SCHEMBL7967274 0.74 PPARD (0.42) MTNR1ALMNAMAPTNPC1ALDH1A1
SCHEMBL17888019 0.74 MTNR1A (0.64) MTNR1AALOX5TP53LMNAMAPT
SCHEMBL5261920 0.73 MTNR1A (1.00) MTNR1ATP53LMNAPOLB
SCHEMBL5227854 0.72 MTNR1A (0.63) MTNR1AALOX5TP53LMNAMAPT
SCHEMBL8112722 0.72 THRB (0.49) TP53LMNAMAPTNPC1ALDH1A1
SCHEMBL5227633 0.72 MTNR1A (0.76) MTNR1ATP53LMNA
SCHEMBL28379701 0.71 TP53 (0.63) MTNR1ATP53LMNAMAPTPOLB
SCHEMBL30292011 0.71 TP53 (0.63) MTNR1ATP53LMNAMAPTPOLB

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
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 WO disclosed