Sugi Predict

Sugi Predict / Compounds / SCHEMBL4181006

SCHEMBL4181006

SCHEMBL4181006

CC(C)(C)[Si](OC1CCN(C(c2c(Cl)cc(-c3ccc(C(=O)N4CCC(C(F)(F)F)CC4)cc3)cc2Cl)C2CCNC2=O)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 3/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ MGLL Q99685 3/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SPR P35270 4/20 0.33
▸ FASN P49327 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ ACLY P53396 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 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
SCHEMBL4187218 0.89 HTR2B (0.34) HTR2BALKMGLLNAMPTLMNA
SCHEMBL2299402 0.77 NAMPT (0.36) HTR2BALKMGLLNAMPTLMNA
SCHEMBL1092157 0.76 PDE4D (0.32) —
SCHEMBL1751913 0.76 RIPK1 (0.39) HTR2BALKMGLLNAMPTLMNA
SCHEMBL2299336 0.75 NAMPT (0.33) HTR2BALKMGLLNAMPTLMNA
SCHEMBL1092147 0.73 PSD (0.35) —
SCHEMBL4194240 0.73 SPR (0.38) HTR2BNAMPTLMNASPR
SCHEMBL1094081 0.69 PDE4A (0.33) —
SCHEMBL1092228 0.69 PDE4A (0.33) —
SCHEMBL2065491 0.68 PDE4D (0.41) —

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-2021337-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 — — EP disclosed
WO-2007127726-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 — — WO disclosed