SCHEMBL8097617

SCHEMBL8097617

CCCC(=O)NCC1CC1c1ccc(Cl)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
MTNR1B P49286 7/20 0.43
MTNR1A P48039 6/20 0.43
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL8097616 1.00 SLC6A2 (0.48) SLC6A2SLC6A4MTNR1BMTNR1ATRPV1
SCHEMBL8097820 0.86 MTNR1B (0.43) MTNR1BMTNR1ATRPV1
SCHEMBL8097822 0.86 MTNR1B (0.43) MTNR1BMTNR1ATRPV1
SCHEMBL8088925 0.79 HTR2A (0.55) MTNR1BMTNR1A
SCHEMBL8089150 0.79 HTR2A (0.55) MTNR1BMTNR1A
SCHEMBL8096202 0.79 HTR2C (0.51) SLC6A2SLC6A4MTNR1BMTNR1A
SCHEMBL8096201 0.79 HTR2C (0.51) SLC6A2SLC6A4MTNR1BMTNR1A
SCHEMBL27385861 0.76 MTNR1B (0.56) MTNR1BMTNR1A
SCHEMBL8101397 0.75 HTR2C (0.55) MTNR1BMTNR1A
SCHEMBL8101400 0.75 HTR2C (0.55) MTNR1BMTNR1A

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-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP claimed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP claimed
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed