SCHEMBL8096217

SCHEMBL8096217

CCCC(=O)NC[C@@H]1C[C@H]1c1cc(F)ccc1I

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 10/20 0.49
MTNR1A P48039 9/20 0.49
HTR2C P28335 6/20 0.42
HTR2A P28223 5/20 0.42
HTR2B P41595 5/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL9019896 1.00 MTNR1B (0.49) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL8097743 0.88 MTNR1B (0.51) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL8097747 0.88 MTNR1B (0.51) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL8097498 0.86 MTNR1B (0.50) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL8097504 0.86 MTNR1B (0.50) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL8089383 0.84 MTNR1A (0.53) MTNR1BMTNR1A
SCHEMBL8089386 0.84 MTNR1A (0.53) MTNR1BMTNR1A
SCHEMBL8095899 0.81 MTNR1A (0.44) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL8095897 0.81 MTNR1A (0.44) MTNR1BMTNR1AHTR2CHTR2AHTR2B
SCHEMBL8088845 0.78 MTNR1B (0.51) MTNR1BMTNR1AHTR2CHTR2AHTR2B

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