SCHEMBL11230241

SCHEMBL11230241

CCCCCCCN(CCCCCC)CCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.89
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11221493 1.00 KCNH2 (0.89) KCNH2THRATHRBMAPTTSHR
SCHEMBL11230164 1.00 KCNH2 (0.89) KCNH2THRATHRBMAPTTSHR
SCHEMBL11233411 1.00 KCNH2 (0.89) KCNH2THRATHRBMAPTTSHR
SCHEMBL11242679 0.98 KCNH2 (0.86) KCNH2THRATHRBMAPTTSHR
Bromide SCHEMBL11235494 0.98 KCNH2 (0.86) KCNH2THRATHRBMAPTTSHR
SCHEMBL11239862 0.97 KCNH2 (0.84) KCNH2THRATHRBMAPTTSHR
SCHEMBL11230222 0.94 KCNH2 (1.00) KCNH2THRATHRBMAPTTSHR
SCHEMBL11223279 0.94 KCNH2 (1.00) KCNH2THRATHRBMAPTTSHR
SCHEMBL6369107 0.94 KCNH2 (1.00) KCNH2THRATHRBMAPTTSHR
Oxalic Acid SCHEMBL11243792 0.93 KCNH2 (0.78) KCNH2THRATHRBALDH1A1MEN1

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