SCHEMBL7761871

SCHEMBL7761871

NCCCC[C@H](NC(=O)C1OC1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTMT1 Q9BV86 1/20 0.49
CALCRL Q16602 2/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
CHRNA1 P02708 2/20 0.41
CHRNG P07510 2/20 0.41
CHRNB1 P11230 2/20 0.41
CHRND Q07001 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CTSL P07711 1/20 0.41
GRIA1 P42261 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL7765678 1.00 NTMT1 (0.49) NTMT1CALCRLKMT2AMEN1MMP1
Hydrochloric Acid SCHEMBL7761875 0.99 NTMT1 (0.48) NTMT1CALCRLKMT2AMEN1MMP1
Hydrochloric Acid SCHEMBL7761862 0.99 NTMT1 (0.48) NTMT1CALCRLKMT2AMEN1MMP1
SCHEMBL8349391 0.93 NTMT1 (0.51) NTMT1CALCRLKMT2AMEN1MMP1
SCHEMBL7764063 0.93 NTMT1 (0.51) NTMT1CALCRLKMT2AMEN1MMP1
SCHEMBL7765746 0.93 NTMT1 (0.48) NTMT1KMT2AMEN1CHRNA1CHRNG
Hydrochloric Acid SCHEMBL7759028 0.93 NTMT1 (0.51) NTMT1CALCRLKMT2AMEN1MMP1
SCHEMBL7765698 0.93 NTMT1 (0.51) NTMT1KMT2AMEN1PSMB5
Hydrochloric Acid SCHEMBL8344064 0.93 NTMT1 (0.51) NTMT1CALCRLKMT2AMEN1MMP1
Hydrochloric Acid SCHEMBL7763474 0.92 NTMT1 (0.48) NTMT1KMT2AMEN1CHRNA1CHRNG

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