SCHEMBL8097076

SCHEMBL8097076

CCCC(=O)NC[C@@H]1C[C@H]1c1ccc(Br)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.45
MTNR1B P49286 7/20 0.45
KDM1A O60341 3/20 0.45
KCNH2 Q12809 2/20 0.45
KDM1B Q8NB78 1/20 0.45
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
RCOR1 Q9UKL0 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 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
SCHEMBL8097079 1.00 MTNR1A (0.45) MTNR1AMTNR1BKDM1AKCNH2KDM1B
SCHEMBL8095899 0.86 MTNR1A (0.44) MTNR1AMTNR1BSLC6A2SLC6A4HTR2A
SCHEMBL8095897 0.86 MTNR1A (0.44) MTNR1AMTNR1BSLC6A2SLC6A4HTR2A
SCHEMBL8097504 0.81 MTNR1B (0.50) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL8097498 0.81 MTNR1B (0.50) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL8098175 0.81 MTNR1B (0.51) MTNR1AMTNR1BKDM1ASLC6A2SLC6A4
SCHEMBL8088842 0.81 MTNR1B (0.51) MTNR1AMTNR1BSLC6A2SLC6A4HTR2A
SCHEMBL8098179 0.81 MTNR1B (0.51) MTNR1AMTNR1BKDM1ASLC6A2SLC6A4
SCHEMBL8088845 0.81 MTNR1B (0.51) MTNR1AMTNR1BSLC6A2SLC6A4HTR2A
SCHEMBL8101397 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