SCHEMBL31098389

SCHEMBL31098389

Cc1c(C(O)CN2CCc3nc(-c4ccc(C#N)c(F)c4)ncc3C2)ccc2c1COC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 20/20 1.00
▸ KCNH2 Q12809 2/20 1.00

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
SCHEMBL16853059 1.00 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL18156880 0.94 KCNJ1 (0.88) KCNJ1KCNH2
SCHEMBL16853016 0.88 KCNJ1 (0.78) KCNJ1KCNH2
SCHEMBL31098422 0.88 KCNJ1 (0.78) KCNJ1KCNH2
SCHEMBL16853075 0.88 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL30569178 0.87 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL19513100 0.87 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL18156852 0.85 KCNJ1 (0.74) KCNJ1KCNH2
SCHEMBL16852992 0.85 KCNJ1 (0.73) KCNJ1KCNH2
SCHEMBL16853015 0.85 KCNJ1 (0.86) KCNJ1KCNH2

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
EP-3083573-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC (US) 2024-08-07 — — EP disclosed
Send feedback