SCHEMBL7665176

SCHEMBL7665176

CC(=O)OC(CN1[C@@H](Cc2ccccc2)COC1(C)C)c1ccn(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 5/20 0.32
DAGLA Q9Y4D2 5/20 0.32
ABCB1 P08183 1/20 0.32
MMP12 P39900 1/20 0.31
DAGLB Q8NCG7 1/20 0.31

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
SCHEMBL7665171 1.00 ABHD6 (0.32) ABHD6DAGLAABCB1MMP12DAGLB
SCHEMBL7449060 0.83 HSD17B10 (0.34) ABHD6DAGLAABCB1MMP12
SCHEMBL7458431 0.83 HSD17B10 (0.34) ABHD6DAGLAABCB1MMP12
SCHEMBL7451706 0.79 ABCB1 (0.33) ABHD6DAGLAABCB1DAGLB
SCHEMBL7451704 0.79 ABCB1 (0.33) ABHD6DAGLAABCB1DAGLB
SCHEMBL27496356 0.78 ABCB1 (0.32) ABHD6DAGLAABCB1
SCHEMBL7404865 0.76 TMEM97 (0.31) ABHD6DAGLA
SCHEMBL27497033 0.75 DRD4 (0.33)
SCHEMBL7405602 0.75 CTSL (0.31) ABCB1MMP12
SCHEMBL7407015 0.75 SMN1; SMN2 (0.33) ABCB1

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-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed