SCHEMBL8103817

SCHEMBL8103817

CC(=O)NCCCC(O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.67
MTNR1B P49286 7/20 0.67
L3MBTL1 Q9Y468 1/20 0.54
NAAA Q02083 2/20 0.49
BCAT2 O15382 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RIPK1 Q13546 1/20 0.47
ASAH1 Q13510 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL25496786 1.00 MTNR1A (0.67) MTNR1AMTNR1BL3MBTL1NAAABCAT2
SCHEMBL28694793 0.91 MTNR1A (0.74) MTNR1AMTNR1BL3MBTL1BCAT2NPC1
SCHEMBL8419392 0.91 MTNR1A (0.74) MTNR1AMTNR1BL3MBTL1BCAT2NPC1
SCHEMBL13670627 0.86 MTNR1A (0.54) MTNR1AMTNR1BL3MBTL1NAAANPC1
SCHEMBL6893009 0.86 BCAT2 (0.51) MTNR1AMTNR1BL3MBTL1NAAABCAT2
SCHEMBL3141390 0.86 BCAT2 (0.51) MTNR1AMTNR1BL3MBTL1NAAABCAT2
SCHEMBL7487803 0.81 NAAA (0.50) MTNR1AMTNR1BL3MBTL1NAAABCAT2
SCHEMBL885090 0.80 BCAT2 (0.68) MTNR1AMTNR1BL3MBTL1BCAT2NPC1
SCHEMBL50338 0.80 BCAT2 (0.68) MTNR1AMTNR1BL3MBTL1BCAT2NPC1
SCHEMBL4219824 0.80 MTNR1A (1.00) 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
US-6034272-A CARDIOVASCULAR DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-03-07 US disclosed
WO-1998057929-A1 ELEVATION OF HDL CHOLESTEROL BY N-[4-[ (AMINOTHIOXOMETHYL) HYDRAZONO] -4-ARYLBUTYL]AMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 WO disclosed