SCHEMBL19231508

SCHEMBL19231508

CC(C)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.54
▸ MMP3 P08254 1/20 0.48
▸ CALCRL Q16602 1/20 0.48
▸ ECE1 P42892 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ SIRT1 Q96EB6 4/20 0.47
▸ SIRT2 Q8IXJ6 3/20 0.47
▸ CTSL P07711 1/20 0.46
▸ F2 P00734 3/20 0.46
▸ PRSS1 P07477 3/20 0.46
▸ PRSS2 P07478 3/20 0.46
▸ PRSS3 P35030 3/20 0.46
▸ CPB1 P15086 1/20 0.45
▸ CPB2 Q96IY4 1/20 0.45
▸ KDM1A O60341 3/20 0.45
▸ MAOA P21397 2/20 0.45
▸ KDM1B Q8NB78 1/20 0.45
▸ RCOR1 Q9UKL0 1/20 0.45
▸ SIRT3 Q9NTG7 2/20 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
SCHEMBL19403504 0.93 SSTR3 (0.54) SSTR3MMP3CALCRLECE1LTA4H
SCHEMBL25475432 0.93 SSTR3 (0.54) SSTR3MMP3CALCRLECE1LTA4H
SCHEMBL21474554 0.91 SSTR3 (0.55) SSTR3MMP3CALCRLECE1LTA4H
SCHEMBL14872058 0.91 SSTR3 (0.55) SSTR3MMP3CALCRLECE1LTA4H
SCHEMBL22010347 0.88 SSTR3 (0.51) SSTR3MMP3CALCRLECE1LTA4H
SCHEMBL25475433 0.86 SSTR3 (0.48) SSTR3MMP3CALCRLECE1LTA4H
SCHEMBL25475437 0.85 FOLH1 (0.48) SSTR3MMP3CALCRLECE1F2
SCHEMBL25475918 0.85 SSTR3 (0.48) SSTR3MMP3CALCRLECE1LTA4H
SCHEMBL17706674 0.83 SSTR3 (0.55) SSTR3MMP3CALCRLECE1LTA4H
SCHEMBL14821040 0.83 SSTR3 (0.55) SSTR3MMP3CALCRLECE1LTA4H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732084-B2 Pyrrolobenzodiazepines used to treat proliferative diseases MEDIMMUNE LIMITED (GB) 2017-08-15 — — US disclosed
Send feedback