SCHEMBL8787610

SCHEMBL8787610

CC(C)(C)NC(=O)OC1CCN(c2cc(Cl)nc(Cl)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ MCHR1 Q99705 11/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ NTMT1 Q9BV86 1/20 0.32

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
SCHEMBL8787548 0.82 MCHR1 (0.34) MCHR1ROCK2HDAC8HDAC6NTMT1
SCHEMBL8788450 0.78 GPR119 (0.43) MCHR1ROCK2HDAC8HDAC6MMP1
SCHEMBL28830319 0.77 CYP1A2 (0.39) LMNAMCHR1
SCHEMBL8787403 0.76 CYP2D6 (0.36) LMNAMCHR1NPC1NTMT1
SCHEMBL8103747 0.76 MCHR1 (0.48) LMNAMCHR1NPC1
SCHEMBL28887345 0.74 ROCK2 (0.45) ROCK2HDAC8HDAC6NPC1NTMT1
SCHEMBL8090512 0.74 LMNA (0.38) LMNAMCHR1
SCHEMBL8661026 0.72 CNR1 (0.45) MCHR1CYP17A1CCNE1CDK2
SCHEMBL28377659 0.72 MCHR1 (0.34) MCHR1ROCK2
SCHEMBL28382325 0.72 MCHR1 (0.34) MCHR1ROCK2

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-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 — — EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 — — WO disclosed
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