SCHEMBL8097743

SCHEMBL8097743

CCCC(=O)NCC1CC1c1cc(F)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 7/20 0.51
MTNR1A P48039 6/20 0.51
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 2/20 0.43
HPGD P15428 1/20 0.43
KDM1A O60341 2/20 0.42
KDM1B Q8NB78 1/20 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
SCHEMBL8097747 1.00 MTNR1B (0.51) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8089388 0.90 MTNR1B (0.52) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8089391 0.90 MTNR1B (0.52) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL9019896 0.88 MTNR1B (0.49) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8096217 0.88 MTNR1B (0.49) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8097504 0.88 MTNR1B (0.50) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8097498 0.88 MTNR1B (0.50) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8104735 0.84 HTR2A (0.47) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8104739 0.84 HTR2A (0.47) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL8088845 0.80 MTNR1B (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
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