SCHEMBL8088846

SCHEMBL8088846

CCCC(=O)NC[C@@H]1C[C@H]1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
MTNR1A P48039 6/20 0.46
MTNR1B P49286 6/20 0.46
RPS6KB1 P23443 4/20 0.43
F2R P25116 1/20 0.41
DPP4 P27487 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40

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
SCHEMBL8088849 1.00 FFAR1 (0.48) FFAR1MTNR1AMTNR1BRPS6KB1F2R
SCHEMBL8089150 0.86 HTR2A (0.55) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL8088925 0.86 HTR2A (0.55) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL8102619 0.85 MTNR1A (0.48) FFAR1MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL9019866 0.84 MTNR1A (0.50) FFAR1MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL9019865 0.84 MTNR1A (0.50) FFAR1MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL8095712 0.83 HTR2A (0.53) MTNR1AMTNR1BRPS6KB1HTR2AHTR2C
SCHEMBL8095710 0.83 HTR2A (0.53) MTNR1AMTNR1BRPS6KB1HTR2AHTR2C
SCHEMBL8104774 0.82 CNR2 (0.48) MTNR1AMTNR1B
SCHEMBL8104776 0.82 CNR2 (0.48) MTNR1AMTNR1B

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 claimed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP claimed