SCHEMBL8035010

SCHEMBL8035010

CC(=O)NCCCC1CCCc2ccc(C)cc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.55
MTNR1B P49286 12/20 0.55
NQO2 P16083 7/20 0.53
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL8575999 0.93 MTNR1A (0.63) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8576002 0.93 MTNR1A (0.63) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL6077926 0.88 MTNR1A (0.57) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8031058 0.86 MTNR1A (0.53) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7952490 0.85 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8035020 0.84 MTNR1A (0.51) MTNR1AMTNR1BNQO2
SCHEMBL8035039 0.83 MTNR1A (0.50) MTNR1AMTNR1BNQO2
SCHEMBL7956065 0.81 MTNR1A (0.73) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL6077655 0.81 MTNR1A (0.55) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8571116 0.81 MTNR1A (0.54) MTNR1AMTNR1BNQO2TRPV1

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-0745586-B1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-08 EP disclosed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 US disclosed
EP-0745586-A1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed