SCHEMBL8096225

SCHEMBL8096225

CCCC(=O)NCC1C(c2cccc(OC)c2)C1(C)C

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.51
MTNR1A P48039 11/20 0.51
SLC9A1 P19634 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
SCHEMBL8096223 1.00 MTNR1B (0.51) MTNR1BMTNR1ASLC9A1
SCHEMBL8096228 1.00 MTNR1B (0.51) MTNR1BMTNR1ASLC9A1
SCHEMBL8103536 0.87 MTNR1B (0.50) MTNR1BMTNR1A
SCHEMBL8103541 0.87 MTNR1B (0.50) MTNR1BMTNR1A
SCHEMBL18912573 0.84 FFAR1 (0.45) MTNR1BMTNR1A
SCHEMBL8089150 0.78 HTR2A (0.55) MTNR1BMTNR1A
SCHEMBL8088925 0.78 HTR2A (0.55) MTNR1BMTNR1A
SCHEMBL6321790 0.76 SLC9A1 (0.51) SLC9A1
SCHEMBL8098006 0.76 SLC9A1 (0.51) SLC9A1
SCHEMBL8098003 0.76 SLC9A1 (0.51) SLC9A1

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-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