SCHEMBL8573593

SCHEMBL8573593

CCCNC(=O)NCCC1CCCc2ccc(CCC)cc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.51
MTNR1B P49286 16/20 0.50
NQO2 P16083 14/20 0.50
HTT P42858 1/20 0.49
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
SCHEMBL8573589 1.00 MTNR1A (0.51) MTNR1AMTNR1BNQO2HTTTRPV1
SCHEMBL8574127 0.93 MTNR1A (0.49) MTNR1AMTNR1BNQO2HTTTRPV1
SCHEMBL8574129 0.93 MTNR1A (0.49) MTNR1AMTNR1BNQO2HTTTRPV1
SCHEMBL8569619 0.92 MTNR1A (0.50) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8569617 0.92 MTNR1A (0.50) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8990805 0.92 MTNR1A (0.52) MTNR1AMTNR1BNQO2HTTTRPV1
SCHEMBL8573856 0.92 MTNR1A (0.52) MTNR1AMTNR1BNQO2HTTTRPV1
SCHEMBL8574790 0.90 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL8574792 0.90 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL8573789 0.86 MTNR1A (0.53) MTNR1AMTNR1BNQO2HTTTRPV1

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-0721938-B1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-08 EP 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