SCHEMBL8098503

SCHEMBL8098503

CCCC(=O)NCC1CC1c1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 10/20 0.52
MTNR1A P48039 9/20 0.52
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
KDM1A O60341 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42

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
SCHEMBL8098501 1.00 MTNR1B (0.52) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8095379 0.87 MTNR1B (0.52) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8095382 0.87 MTNR1B (0.52) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8098175 0.86 MTNR1B (0.51) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8096202 0.86 HTR2C (0.51) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8098232 0.86 MTNR1B (0.54) MTNR1BMTNR1ASLC6A2SLC6A4
SCHEMBL8098179 0.86 MTNR1B (0.51) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8098235 0.86 MTNR1B (0.54) MTNR1BMTNR1ASLC6A2SLC6A4
SCHEMBL8088845 0.86 MTNR1B (0.51) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8096201 0.86 HTR2C (0.51) MTNR1BMTNR1AHTR2AHTR2CHTR2B

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
CN-1068583-C N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2001-07-18 CN disclosed
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP disclosed
CN-1143628-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 1997-02-26 CN disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed