SCHEMBL9195378

SCHEMBL9195378

CCCC(=O)NCCn1cnc2ccc(OC)cc21

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.75
MTNR1B P49286 13/20 0.75
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL9190336 0.86 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL29962224 0.86 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL9192842 0.82 MTNR1A (0.75) MTNR1AMTNR1B
SCHEMBL8185656 0.81 MTNR1A (0.73) MTNR1AMTNR1BALDH1A1
SCHEMBL19911346 0.80 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1
SCHEMBL21315666 0.79 MTNR1A (0.86) MTNR1AMTNR1B
SCHEMBL21315635 0.78 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8757514 0.78 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL19911358 0.78 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1
SCHEMBL27038883 0.77 MTNR1A (0.65) MTNR1AMTNR1BALDH1A1

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-0527687-B1 Novel arylethylamin derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-11-22 EP disclosed
EP-0527687-A2 Novel arylethylamin derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-17 EP disclosed