SCHEMBL9029914

SCHEMBL9029914

COC(=O)C(C)(C)CCCOc1ccc2c(c1)C=C(c1nccn1C)C(CCc1ccc(F)cc1F)O2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.32
PPARG P37231 1/20 0.32
DYRK1A Q13627 1/20 0.31
KCNH2 Q12809 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL9031163 0.94 PPARG (0.37) HTR2APPARG
SCHEMBL9678373 0.92 HTR2A (0.32) HTR2A
SCHEMBL9029982 0.88 CHEK1 (0.36) PPARG
SCHEMBL9676919 0.87 PPARG (0.34) PPARGKCNH2
SCHEMBL9030229 0.86 TBXAS1 (0.34) PPARGKCNH2
SCHEMBL9030559 0.86
SCHEMBL9029711 0.85 PPARG (0.36) PPARG
SCHEMBL9293255 0.84 HTR2A (0.30) HTR2AHTR2C
SCHEMBL9029922 0.83 HTR2A (0.34) HTR2APPARGHTR2C
SCHEMBL9769494 0.83 ALOX5 (0.35) PPARGKCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP claimed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US claimed
WO-1992009582-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1992-06-11 WO claimed
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP disclosed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US disclosed
EP-0513285-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-11-19 EP disclosed
WO-1992009582-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1992-06-11 WO disclosed