SCHEMBL5225818

SCHEMBL5225818

C=CCC(=O)NCCC1CCOc2cc(OC)ccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.49
MTNR1B P49286 17/20 0.49
NQO2 P16083 14/20 0.49
HTR1A P08908 1/20 0.48

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
SCHEMBL5225817 0.92 MTNR1A (0.55) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL7198660 0.85 MTNR1A (0.66) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL6077302 0.85 NQO2 (0.47) MTNR1AMTNR1BNQO2
SCHEMBL5223865 0.85 MTNR1A (0.63) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL5227718 0.83 HTR1A (0.59) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL6077298 0.79 MTNR1A (0.47) MTNR1AMTNR1BNQO2
SCHEMBL7198659 0.77 MTNR1A (0.69) MTNR1AMTNR1BNQO2
SCHEMBL5223857 0.76 MTNR1A (0.72) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL5175120 0.76 HTR1A (0.54) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL5226604 0.76 MTNR1A (0.61) MTNR1AMTNR1BNQO2HTR1A

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 2 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