SCHEMBL11233002

SCHEMBL11233002

CCCN(CCC)CCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.76
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
KCNJ1 P48048 1/20 0.47
SLC22A2 O15244 1/20 0.45
ADRB1 P08588 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC47A2 Q86VL8 1/20 0.45
SLC47A1 Q96FL8 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
SCHEMBL11239862 0.96 KCNH2 (0.84) KCNH2MAPTTSHRALDH1A1
SCHEMBL11233411 0.92 KCNH2 (0.89) KCNH2MAPTTSHRALDH1A1
SCHEMBL11230241 0.92 KCNH2 (0.89) KCNH2MAPTTSHRALDH1A1
SCHEMBL11230164 0.92 KCNH2 (0.89) KCNH2MAPTTSHRALDH1A1
SCHEMBL11221493 0.92 KCNH2 (0.89) KCNH2MAPTTSHRALDH1A1
Bromide SCHEMBL11235494 0.91 KCNH2 (0.86) KCNH2MAPTTSHRALDH1A1
SCHEMBL11242679 0.91 KCNH2 (0.86) KCNH2MAPTTSHRALDH1A1
Oxalic Acid SCHEMBL11238467 0.89 KCNH2 (0.74) KCNH2ALDH1A1
Oxalic Acid SCHEMBL11229293 0.89 KCNH2 (0.74) KCNH2ALDH1A1
Oxalic Acid SCHEMBL11238473 0.89 KCNH2 (0.74) KCNH2ALDH1A1

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
US-4336269-A ANTIARRHYTHMIA ELI LILLY AND COMPANY (US) 1982-06-22 US disclosed