SCHEMBL381487

SCHEMBL381487

COC(=O)ON1CCC(N2CC[C@@H](Cc3c(Cl)cc(-c4ccc(F)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.36
TP53 P04637 2/20 0.35
HSD11B1 P28845 1/20 0.34
CHRM3 P20309 3/20 0.34
SLC6A3 Q01959 5/20 0.34
SLC6A4 P31645 4/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL381812 0.91 CHRM3 (0.33) ROCK2TP53HSD11B1CHRM3CNR1
SCHEMBL381971 0.89 CHRM3 (0.33) ROCK2TP53HSD11B1CHRM3
SCHEMBL381753 0.88 PKM (0.39) TP53HSD11B1CHRM3
SCHEMBL381752 0.88 PKM (0.39) TP53HSD11B1CHRM3
SCHEMBL381541 0.84 MAPT (0.34) TP53HSD11B1
SCHEMBL381162 0.84 TP53 (0.41) TP53HSD11B1SLC6A3KMT2A
SCHEMBL4028976 0.83 HSD11B1 (0.40) ROCK2TP53HSD11B1CNR1KMT2A
SCHEMBL381822 0.82 HSD11B1 (0.37) ROCK2TP53HSD11B1KMT2A
SCHEMBL13031209 0.82 HSD11B1 (0.37) ROCK2TP53HSD11B1KMT2A
SCHEMBL381499 0.82 MCHR1 (0.34) HSD11B1CHRM3SLC6A4CNR1

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
EP-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP claimed