SCHEMBL4174224

SCHEMBL4174224

CC(C)[Si](OC1CCN(N2CCCC2=O)CC1Cc1c(Cl)cc(OCc2ccccc2)cc1Cl)(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
PRKX P51817 1/20 0.35
ACVR1 Q04771 1/20 0.35
S1PR5 Q9H228 1/20 0.35
FDFT1 P37268 1/20 0.34
HRH3 Q9Y5N1 7/20 0.34
XIAP P98170 1/20 0.33
CYP2D6 P10635 2/20 0.33
MCHR1 Q99705 2/20 0.33
GRM2 Q14416 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CREBBP Q92793 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
CNR1 P21554 1/20 0.32
KCNH2 Q12809 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
SCHEMBL4180585 0.84 S1PR5 (0.40) S1PR1PRKXACVR1S1PR5HRH3
SCHEMBL4186193 0.79 PDE4B (0.34)
SCHEMBL1092695 0.77 FDFT1 (0.37) S1PR1PRKXACVR1S1PR5FDFT1
SCHEMBL1092697 0.77 FDFT1 (0.37) S1PR1PRKXACVR1S1PR5FDFT1
SCHEMBL4192647 0.75 HRH3 (0.39) ACVR1HRH3L3MBTL1
SCHEMBL4191491 0.75 MAPK14 (0.32)
SCHEMBL4179199 0.74 PDE5A (0.34) HRH3
SCHEMBL207726 0.73 CREBBP (0.34) S1PR1PRKXACVR1S1PR5FDFT1
SCHEMBL210843 0.71 HSD11B1 (0.43) S1PR1PRKXACVR1S1PR5FDFT1
SCHEMBL210841 0.71 HSD11B1 (0.43) S1PR1PRKXACVR1S1PR5FDFT1

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-2021336-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127688-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed