SCHEMBL9718623

SCHEMBL9718623

c1cncc(-c2noc(C3CN4CCC3CC4)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.81
PPARA Q07869 2/20 0.61

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
SCHEMBL5113463 0.90 KCNH2 (1.00) KCNH2PPARA
SCHEMBL5114200 0.89 KCNH2 (0.72) KCNH2PPARA
SCHEMBL9718617 0.87 KCNH2 (0.65) KCNH2
SCHEMBL9718621 0.79 KCNH2 (0.56) KCNH2
SCHEMBL9718562 0.78 RAB9A (0.59) KCNH2
SCHEMBL9718610 0.78 KCNH2 (0.55) KCNH2
SCHEMBL5110768 0.77 KCNH2 (0.57) KCNH2
SCHEMBL9718599 0.77 KCNH2 (0.54) KCNH2
SCHEMBL24844630 0.76 PPARA (0.74) KCNH2PPARA
SCHEMBL9718580 0.75

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-5135935-A Anticholesterol agents MERCK & CO., INC. (US) 1992-08-04 US disclosed