SCHEMBL2732275

SCHEMBL2732275

O=C(O)N1CCN(C(=O)Cc2ccc(-n3cnnn3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.57
KCNJ1 P48048 17/20 0.51
SSTR2 P30874 1/20 0.48

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
SCHEMBL10287706 0.91 KCNH2 (0.57) KCNH2KCNJ1SSTR2
SCHEMBL15196763 0.87 KCNH2 (0.54) KCNH2KCNJ1SSTR2
Hydrochloric Acid SCHEMBL2732361 0.86 KCNH2 (0.53) KCNH2KCNJ1SSTR2
SCHEMBL2732030 0.84 GPR119 (0.54) KCNH2KCNJ1SSTR2
SCHEMBL2732692 0.83 KCNH2 (0.63) KCNH2KCNJ1
SCHEMBL2732279 0.82 KCNJ1 (0.57) KCNH2KCNJ1
SCHEMBL15191714 0.80 KCNH2 (0.60) KCNH2KCNJ1
SCHEMBL4549576 0.76 KCNH2 (0.81) KCNH2KCNJ1
SCHEMBL15191837 0.76 KMT2A (0.55) KCNH2KCNJ1
SCHEMBL2733641 0.74 KCNJ1 (0.54) KCNH2KCNJ1

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 2 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