SCHEMBL8570999

SCHEMBL8570999

CCCCC(=O)NCC[C@H]1CCCc2ccc(CC)cc21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.64
MTNR1B P49286 15/20 0.64
NQO2 P16083 12/20 0.64
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL8435532 1.00 MTNR1A (0.64) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8431981 0.93 MTNR1A (0.63) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8606216 0.93 MTNR1A (0.63) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8990668 0.89 MTNR1A (0.65) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8572818 0.89 MTNR1A (0.65) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8573856 0.85 MTNR1A (0.52) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8990805 0.85 MTNR1A (0.52) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8574906 0.85 MTNR1A (0.61) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8432485 0.85 MTNR1A (0.61) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8570206 0.83 MTNR1A (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721938-B1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-08 EP disclosed
US-5780512-A MELATONINERGIC ADIR ET COMPAGNIE (FR) 1998-07-14 US disclosed
US-5693665-A TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-02 US disclosed
EP-0721938-A1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-07-17 EP disclosed