SCHEMBL7765746

SCHEMBL7765746

CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)N[C@@H](CCCCN)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTMT1 Q9BV86 1/20 0.48
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.45
TLR2 O60603 1/20 0.44
CHRND Q07001 6/20 0.43
CHRNA1 P02708 2/20 0.43
CHRNG P07510 2/20 0.43
CHRNB1 P11230 2/20 0.43
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLG P00747 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
SSTR3 P32745 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
Hydrochloric Acid SCHEMBL7763474 0.99 NTMT1 (0.48) NTMT1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7765678 0.93 NTMT1 (0.49) NTMT1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7761871 0.93 NTMT1 (0.49) NTMT1CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7761875 0.92 NTMT1 (0.48) NTMT1CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7761862 0.92 NTMT1 (0.48) NTMT1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7765698 0.92 NTMT1 (0.51) NTMT1MEN1KMT2ATLR2HSD17B10
Hydrochloric Acid SCHEMBL7764055 0.91 NTMT1 (0.50) NTMT1MEN1KMT2ATLR2HSD17B10
SCHEMBL7763507 0.89 NTMT1 (0.51) NTMT1MEN1KMT2AHSD17B10PLG
Hydrochloric Acid SCHEMBL7758991 0.88 NTMT1 (0.51) NTMT1MEN1KMT2AHSD17B10PLG
SCHEMBL7762774 0.88 NTMT1 (0.52) NTMT1MEN1KMT2AHSD17B10

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-0808839-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2001-05-23 EP disclosed
EP-0808839-A1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-11-26 EP disclosed