SCHEMBL8575667

SCHEMBL8575667

CCOC(=O)c1cc(C2CC2)c2c(C)c(N3CCC(CF)(NC(=O)OC(C)(C)C)C3)c(F)cn2c1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.31
KCNH2 Q12809 3/20 0.30
SCN5A Q14524 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
SCHEMBL8575877 0.92 SCN5A (0.36) KCNH2SCN5A
SCHEMBL5571321 0.83 ALDH1A1 (0.39)
SCHEMBL8575755 0.82 KCNH2 (0.33) KCNH2SCN5A
SCHEMBL7509631 0.81 PIM1 (0.35)
SCHEMBL8569365 0.81 HPGD (0.32) ADRB2
SCHEMBL14497194 0.80 ACACB (0.37)
SCHEMBL6803943 0.79 RET (0.32) KCNH2SCN5A
SCHEMBL7099200 0.79 RET (0.32) KCNH2SCN5A
SCHEMBL6803945 0.79 RET (0.32) KCNH2SCN5A
SCHEMBL6169430 0.78 EIF2AK4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed