SCHEMBL7405602

SCHEMBL7405602

CC1(C)OC[C@H](Cc2ccccc2)N1NC(=O)[C@H](CC(=O)O)c1ccn(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.31
CTSK P43235 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABCB1 P08183 1/20 0.31
MCHR1 Q99705 1/20 0.30
FFAR1 O14842 1/20 0.30
HDAC1 Q13547 2/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
MMP12 P39900 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL7460139 0.91 CPB2 (0.32) CTSKCTSBCTSS
SCHEMBL7460143 0.91 CPB2 (0.32) CTSKCTSBCTSS
SCHEMBL7407015 0.88 SMN1; SMN2 (0.33) SMN1; SMN2ABCB1MCHR1HDAC1
SCHEMBL7606288 0.84 NR1H2 (0.32) ABCB1
SCHEMBL7605407 0.84 NR1H2 (0.32) ABCB1
SCHEMBL7409470 0.84 NR1H2 (0.32) ABCB1
SCHEMBL7460147 0.80 CPB2 (0.30)
SCHEMBL7404865 0.80 TMEM97 (0.31) SLC6A2SLC6A4TMEM97SIGMAR1
SCHEMBL7451706 0.79 ABCB1 (0.33) ALDH1A1ABCB1HDAC1TMEM97SIGMAR1
SCHEMBL7451704 0.79 ABCB1 (0.33) ALDH1A1ABCB1HDAC1TMEM97SIGMAR1

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-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 WO disclosed