SCHEMBL5263983

SCHEMBL5263983

CCCC(=O)NCC1CCOc2cc(OC)ccc21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.54
MTNR1B P49286 5/20 0.54
HTR1A P08908 1/20 0.53
NQO2 P16083 3/20 0.51

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
SCHEMBL5263981 0.91 MTNR1A (0.57) MTNR1AMTNR1BHTR1ANQO2
SCHEMBL7198660 0.89 MTNR1A (0.66) MTNR1AMTNR1BHTR1ANQO2
SCHEMBL5226604 0.86 MTNR1A (0.61) MTNR1AMTNR1BHTR1ANQO2
SCHEMBL5227741 0.84 MTNR1A (0.59) MTNR1AMTNR1B
SCHEMBL7198659 0.81 MTNR1A (0.69) MTNR1AMTNR1BNQO2
SCHEMBL9464770 0.80 HTR1A (0.67) MTNR1AHTR1A
SCHEMBL9464927 0.80 HTR1A (0.63) MTNR1AHTR1A
Formamide SCHEMBL9729628 0.78 HTR1A (0.59) MTNR1AMTNR1BHTR1ANQO2
SCHEMBL5223865 0.77 MTNR1A (0.63) MTNR1AMTNR1BHTR1ANQO2
SCHEMBL5226600 0.77 MTNR1A (0.65) MTNR1AMTNR1BHTR1ANQO2

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 3 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