SCHEMBL5263981

SCHEMBL5263981

CCCC(=O)NCC1CCOc2ccc(OC)cc21

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.57
MTNR1B P49286 5/20 0.57
NQO2 P16083 3/20 0.53
HTR1A P08908 1/20 0.53

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
SCHEMBL5263983 0.91 MTNR1A (0.54) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL7198659 0.89 MTNR1A (0.69) MTNR1AMTNR1BNQO2
SCHEMBL5226600 0.86 MTNR1A (0.65) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL5227741 0.86 MTNR1A (0.59) MTNR1AMTNR1B
SCHEMBL7198660 0.81 MTNR1A (0.66) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL135119 0.80 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL9629898 0.79 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL30671706 0.79 HTR1A (0.56) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL9669326 0.78 HTR1A (0.58) MTNR1AMTNR1BHTR1A
SCHEMBL5225086 0.78 MTNR1A (0.57) MTNR1AMTNR1BNQO2

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 5 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
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