SCHEMBL11233725

SCHEMBL11233725

CCCCCCCN(CCCCc1ccc([N+](=O)[O-])cc1)C(C)=O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.71
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
THRA P10827 4/20 0.46
THRB P10828 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MGLL Q99685 1/20 0.45

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
SCHEMBL11240200 1.00 KCNH2 (0.71) KCNH2ALDH1A1MAPTTSHRTHRA
SCHEMBL28042131 0.89 KCNH2 (0.60) KCNH2ALDH1A1MAPTMGLL
SCHEMBL11221493 0.86 KCNH2 (0.89) KCNH2ALDH1A1MAPTTSHRTHRA
SCHEMBL11230164 0.86 KCNH2 (0.89) KCNH2ALDH1A1MAPTTSHRTHRA
SCHEMBL11230241 0.86 KCNH2 (0.89) KCNH2ALDH1A1MAPTTSHRTHRA
SCHEMBL11233411 0.86 KCNH2 (0.89) KCNH2ALDH1A1MAPTTSHRTHRA
SCHEMBL25174460 0.85 KCNH2 (0.77) KCNH2ALDH1A1MAPTTSHRMEN1
SCHEMBL1881781 0.85 KCNH2 (0.77) KCNH2ALDH1A1MAPTTSHRMEN1
SCHEMBL8743949 0.85 KCNH2 (0.77) KCNH2ALDH1A1MAPTTSHRMEN1
SCHEMBL4190401 0.85 KCNH2 (0.77) KCNH2ALDH1A1MAPTTSHRMEN1

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
US-4336269-A ANTIARRHYTHMIA ELI LILLY AND COMPANY (US) 1982-06-22 US disclosed
US-4277501-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1981-07-07 US disclosed