SCHEMBL206858

SCHEMBL206858

O=C(NC(=O)c1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
STAT3 P40763 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ROCK2 O75116 4/20 0.34
ROCK1 Q13464 4/20 0.34
RAB9A P51151 1/20 0.34
ITK Q08881 1/20 0.34
USP30 Q70CQ3 2/20 0.34
CCR5 P51681 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KA5 O75582 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
SCHEMBL15204446 0.92 HSD11B1 (0.40) HSD11B1ALDH1A1LMNAGAAMAPT
SCHEMBL208606 0.90 MMP13 (0.44) HSD11B1ALDH1A1LMNASTAT3MAPK1
SCHEMBL209754 0.89 HSD11B1 (0.45) HSD11B1ALDH1A1LMNAMAPTKDM4E
SCHEMBL3548661 0.87 HSD11B1 (0.51) HSD11B1ALDH1A1GAAMAPTKDM4E
Hydrochloric Acid SCHEMBL3879425 0.86 HSD11B1 (0.50) HSD11B1ALDH1A1GAAMAPTKDM4E
SCHEMBL211427 0.86 HSD11B1 (0.44) HSD11B1ALDH1A1MAPK1USP2RAB9A
SCHEMBL2722387 0.86 CNR2 (0.46) HSD11B1ALDH1A1MAPK1USP2KDM4E
SCHEMBL209503 0.85 HSD11B1 (0.43) HSD11B1ALDH1A1LMNARAB9A
SCHEMBL209985 0.85 CNR2 (0.45) HSD11B1ALDH1A1MAPK1USP2KDM4E
SCHEMBL210958 0.85 HRH3 (0.44) HSD11B1ALDH1A1RAB9AMEN1KMT2A

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
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US claimed
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed