SCHEMBL7314045

SCHEMBL7314045

CC(C)(C)OC(=O)N(CCCC[C@@H](NCCc1ccccc1)C(N)=O)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
CTSL P07711 1/20 0.41
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
MAPT P10636 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL7313523 1.00 CTSK (0.43) CTSKL3MBTL1SIRT2CTSLCCR6
SCHEMBL8083648 0.89 L3MBTL1 (0.40) L3MBTL1SIRT2CTSLCCR6PAX8
SCHEMBL7265609 0.81 L3MBTL1 (0.46) L3MBTL1CCR6PAX8MAPT
SCHEMBL7318212 0.77 FOLH1 (0.58) SIRT2
SCHEMBL7311020 0.77 FOLH1 (0.58) SIRT2
SCHEMBL6620920 0.75 L3MBTL1 (0.43) L3MBTL1CCR6PAX8MAPT
SCHEMBL6620321 0.74 L3MBTL1 (0.46) L3MBTL1CCR6PAX8HDAC3HDAC1
SCHEMBL7310882 0.74 TACR1 (0.39) CTSKCTSLMAPT
SCHEMBL30882671 0.74 OPRK1 (0.49) MAPT
SCHEMBL30882505 0.74 OPRK1 (0.49) MAPT

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed