SCHEMBL8035039

SCHEMBL8035039

CCCCc1ccc2c(c1)C(CCCNC(C)=O)CCC2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.50
MTNR1B P49286 12/20 0.50
NQO2 P16083 7/20 0.48
CTSD P07339 1/20 0.47
BACE1 P56817 1/20 0.47
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 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
SCHEMBL8569261 0.94 MTNR1A (0.56) MTNR1AMTNR1BNQO2CTSDBACE1
SCHEMBL8569263 0.94 MTNR1A (0.56) MTNR1AMTNR1BNQO2CTSDBACE1
SCHEMBL8035020 0.94 MTNR1A (0.51) MTNR1AMTNR1BNQO2
SCHEMBL8031058 0.90 MTNR1A (0.53) MTNR1AMTNR1BNQO2CTSDBACE1
SCHEMBL8574792 0.88 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL8574790 0.88 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL8574129 0.85 MTNR1A (0.49) MTNR1AMTNR1BNQO2
SCHEMBL8574127 0.85 MTNR1A (0.49) MTNR1AMTNR1BNQO2
SCHEMBL8574840 0.84 MTNR1A (0.48) MTNR1AMTNR1BNQO2CTSDBACE1
SCHEMBL8574839 0.84 MTNR1A (0.48) MTNR1AMTNR1BNQO2CTSDBACE1

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