SCHEMBL8098232

SCHEMBL8098232

CCCC(=O)NCC1CC1c1cccc(CC)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.54
MTNR1A P48039 10/20 0.54
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8098235 1.00 MTNR1B (0.54) MTNR1BMTNR1ASLC5A1SLC5A2SLC6A2
SCHEMBL8095379 0.86 MTNR1B (0.52) MTNR1BMTNR1ASLC6A2SLC6A4
SCHEMBL8098503 0.86 MTNR1B (0.52) MTNR1BMTNR1ASLC6A2SLC6A4
SCHEMBL8095382 0.86 MTNR1B (0.52) MTNR1BMTNR1ASLC6A2SLC6A4
SCHEMBL8098501 0.86 MTNR1B (0.52) MTNR1BMTNR1ASLC6A2SLC6A4
SCHEMBL8088845 0.85 MTNR1B (0.51) MTNR1BMTNR1ASLC6A2SLC6A4
SCHEMBL8098179 0.85 MTNR1B (0.51) MTNR1BMTNR1ASLC6A2SLC6A4L3MBTL1
SCHEMBL8098175 0.85 MTNR1B (0.51) MTNR1BMTNR1ASLC6A2SLC6A4L3MBTL1
SCHEMBL8096202 0.85 HTR2C (0.51) MTNR1BMTNR1ASLC6A2SLC6A4
SCHEMBL8096201 0.85 HTR2C (0.51) MTNR1BMTNR1ASLC6A2SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP claimed