SCHEMBL8095899

SCHEMBL8095899

CCCC(=O)NCC1CC1c1ccc(I)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL8095897 1.00 MTNR1A (0.44) MTNR1AMTNR1BSLC6A2SLC6A4HTR2A
SCHEMBL8097079 0.86 MTNR1A (0.45) MTNR1AMTNR1BSLC6A2SLC6A4HTR2A
SCHEMBL8097076 0.86 MTNR1A (0.45) MTNR1AMTNR1BSLC6A2SLC6A4HTR2A
SCHEMBL8097822 0.84 MTNR1B (0.43) MTNR1AMTNR1B
SCHEMBL8097820 0.84 MTNR1B (0.43) MTNR1AMTNR1B
SCHEMBL8096217 0.81 MTNR1B (0.49) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL9019896 0.81 MTNR1B (0.49) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL8088842 0.81 MTNR1B (0.51) MTNR1AMTNR1BSLC6A2SLC6A4HTR2A
SCHEMBL8088845 0.81 MTNR1B (0.51) MTNR1AMTNR1BSLC6A2SLC6A4HTR2A
SCHEMBL8101400 0.77 HTR2C (0.55) MTNR1AMTNR1BHTR2AHTR2CHTR2B

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