SCHEMBL7765698

SCHEMBL7765698

NCCCC[C@H](NC(=O)C1OC1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTMT1 Q9BV86 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.46
GSK3B P49841 1/20 0.46
MC4R P32245 1/20 0.42
MC5R P33032 1/20 0.42
MC3R P41968 1/20 0.42
MC1R Q01726 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP30 Q70CQ3 3/20 0.41
TLR2 O60603 1/20 0.40
BDKRB2 P30411 1/20 0.40
PSMB5 P28074 1/20 0.40

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 SCHEMBL7764055 0.99 NTMT1 (0.50) NTMT1MEN1KMT2AKDM4EGSK3B
SCHEMBL7765678 0.93 NTMT1 (0.49) NTMT1MEN1KMT2APSMB5
SCHEMBL7761871 0.93 NTMT1 (0.49) NTMT1MEN1KMT2APSMB5
SCHEMBL7763507 0.92 NTMT1 (0.51) NTMT1MEN1KMT2AKDM4EHDAC1
SCHEMBL7765746 0.92 NTMT1 (0.48) NTMT1MEN1KMT2AHSD17B10TLR2
Hydrochloric Acid SCHEMBL7761862 0.92 NTMT1 (0.48) NTMT1MEN1KMT2APSMB5
Hydrochloric Acid SCHEMBL7761875 0.92 NTMT1 (0.48) NTMT1MEN1KMT2APSMB5
Hydrochloric Acid SCHEMBL7758991 0.91 NTMT1 (0.51) NTMT1MEN1KMT2AKDM4EHDAC1
SCHEMBL7762774 0.91 NTMT1 (0.52) NTMT1MEN1KMT2AKDM4EGSK3B
Hydrochloric Acid SCHEMBL7763474 0.91 NTMT1 (0.48) NTMT1MEN1KMT2AHSD17B10TLR2

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