SCHEMBL7364544

SCHEMBL7364544

NC(=O)C(=O)NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
SLC2A1 P11166 1/20 0.55
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ABCB1 P08183 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
BCHE P06276 2/20 0.51
FFAR4 Q5NUL3 1/20 0.48

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
SCHEMBL2746594 0.90 MTNR1A (0.57) ALDH1A1MTNR1AMTNR1BSLC2A1PLAAT3
SCHEMBL10163435 0.87 MTNR1A (0.62) ALDH1A1MTNR1AMTNR1BSLC2A1PLAAT3
SCHEMBL7365371 0.86 MTNR1A (0.61) ALDH1A1MTNR1AMTNR1BSLC2A1PLAAT3
SCHEMBL10604591 0.83 ALDH1A1 (0.61) ALDH1A1MTNR1AMTNR1BSLC2A1HPGD
SCHEMBL9269689 0.83 KMT2A (0.59) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL25773443 0.82 MTNR1A (0.69) ALDH1A1MTNR1AMTNR1BPLAAT3PLAAT5
SCHEMBL12707505 0.82 SLC2A1 (0.58) ALDH1A1MTNR1AMTNR1BSLC2A1HPGD
SCHEMBL17821665 0.82 MTNR1A (0.65) ALDH1A1MTNR1AMTNR1BPLAAT3PLAAT5
SCHEMBL2746596 0.81 MTNR1A (0.56) ALDH1A1MTNR1AMTNR1BSLC2A1ABCB1
SCHEMBL13139208 0.81 MTNR1A (0.78) ALDH1A1MTNR1AMTNR1BPLAAT3PLAAT5

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-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed