SCHEMBL9854743

SCHEMBL9854743

CCCC(=O)NC1CCc2ccccc2C1OC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.54
MTNR1B P49286 8/20 0.54
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NQO2 P16083 3/20 0.42
HTT P42858 1/20 0.42
DHODH Q02127 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
SCHEMBL9854699 0.90 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL9854709 0.83 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL19115277 0.79 ALDH1A1 (0.64) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL2464640 0.79 ALDH1A1 (0.64) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL2406505 0.74 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AHTTDHODH
SCHEMBL1565743 0.74 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AHTTDHODH
SCHEMBL2466967 0.71 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1HTTDHODH
SCHEMBL9731275 0.70 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL24522152 0.70 PIN1 (0.46) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL31262384 0.69 PDPK1 (0.44) MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420064-A2 Substituted 2-amidotetralins as melatonin agonists and antagonists NORTHWESTERN UNIVERSITY (US) 1991-04-03 EP disclosed