SCHEMBL208308

SCHEMBL208308

O=C1C(Cc2ccc(-c3ccccc3)cc2C(F)(F)F)CCN1C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.58
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP27A1 Q02318 1/20 0.38
CYP24A1 Q07973 1/20 0.38
CCR5 P51681 1/20 0.37
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
MGAM O43451 1/20 0.36
LCT P09848 1/20 0.36
SI P14410 1/20 0.36
NAAA Q02083 1/20 0.36
CNR1 P21554 1/20 0.36
CES2 O00748 1/20 0.35
ROCK2 O75116 3/20 0.35
FAAH O00519 1/20 0.35
IL4I1 Q96RQ9 1/20 0.34

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
SCHEMBL209346 0.90 HSD11B1 (0.48) HSD11B1KDM4EALDH1A1
SCHEMBL4517502 0.85 HSD11B1 (0.62) HSD11B1ALDH1A1CCR5CES2ROCK2
SCHEMBL3551332 0.85 HSD11B1 (0.64) HSD11B1KDM4EALDH1A1CYP27A1CYP24A1
SCHEMBL3554331 0.84 HSD11B1 (0.60) HSD11B1CCR5CNR1CES2ROCK2
SCHEMBL208293 0.84 HSD11B1 (0.43) HSD11B1ALDH1A1
SCHEMBL209282 0.83 HSD11B1 (0.52) HSD11B1KDM4EALDH1A1CYP27A1CYP24A1
SCHEMBL208962 0.82 KCNH2 (0.42) HSD11B1
SCHEMBL207094 0.82 HSD11B1 (0.41) HSD11B1
SCHEMBL209678 0.82 HDAC4 (0.42) HSD11B1
SCHEMBL2723744 0.81 HSD11B1 (0.40) HSD11B1ALDH1A1

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