SCHEMBL7407015

SCHEMBL7407015

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
ABCB1 P08183 1/20 0.31
HDAC1 Q13547 2/20 0.30
CYP3A4 P08684 1/20 0.30
MCHR1 Q99705 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
SCHEMBL7409470 0.91 NR1H2 (0.32) ABCB1
SCHEMBL7605407 0.91 NR1H2 (0.32) ABCB1
SCHEMBL7606288 0.91 NR1H2 (0.32) ABCB1
SCHEMBL7405602 0.88 CTSL (0.31) SMN1; SMN2ABCB1HDAC1MCHR1
SCHEMBL7460143 0.84 CPB2 (0.32)
SCHEMBL7460139 0.84 CPB2 (0.32)
SCHEMBL7606294 0.81 CPB2 (0.31)
SCHEMBL7605418 0.81 CPB2 (0.31)
SCHEMBL7451706 0.79 ABCB1 (0.33) ABCB1HDAC1CYP3A4
SCHEMBL7451704 0.79 ABCB1 (0.33) ABCB1HDAC1CYP3A4

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