SCHEMBL300137

SCHEMBL300137

Cc1c(C(F)CN2CCN(C(C)(C)C)CC2)ccc2c1COC2=O

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.84
KCNH2 Q12809 9/20 0.84
ACHE P22303 1/20 0.64
SSTR1 P30872 1/20 0.64
SLC6A4 P31645 1/20 0.64

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
SCHEMBL2898617 0.92 KCNJ1 (1.00) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL286549 0.88 KCNJ1 (0.84) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL2900004 0.85 KCNJ1 (0.88) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL286522 0.84 KCNJ1 (0.84) KCNJ1KCNH2ACHESSTR1SLC6A4
Hydrochloric Acid SCHEMBL298335 0.83 KCNJ1 (0.82) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL2894946 0.82 KCNJ1 (0.72) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL10232438 0.82 KCNJ1 (0.80) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL15722752 0.81 KCNJ1 (0.79) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL3791652 0.80 KCNJ1 (0.69) KCNJ1KCNH2ACHESSTR1SLC6A4
Mk-7145 SCHEMBL297586 0.78 KCNJ1 (1.00) KCNJ1KCNH2ACHESSTR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed