SCHEMBL11243777

SCHEMBL11243777

CCNCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.59
KCNH2 Q12809 3/20 0.54
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
KCNJ1 P48048 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8780821 0.95 CHRM2 (0.57) CHRM2KCNH2TSHRMAPTHDAC3
SCHEMBL11238993 0.89 KCNH2 (0.63) CHRM2KCNH2TSHRHDAC3HDAC1
SCHEMBL8780928 0.88 KCNH2 (0.60) CHRM2KCNH2TSHRMAPTKCNJ1
SCHEMBL11236700 0.88 KCNH2 (0.66) CHRM2KCNH2HDAC3HDAC1HDAC2
SCHEMBL11233919 0.88 KCNH2 (0.66) CHRM2KCNH2HDAC3HDAC1HDAC2
SCHEMBL11235448 0.88 KCNH2 (0.66) CHRM2KCNH2HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL11229997 0.88 KCNH2 (0.62) CHRM2KCNH2TSHRHDAC3HDAC1
Bromide SCHEMBL10353478 0.87 KCNH2 (0.59) CHRM2KCNH2TSHRMAPTKCNJ1
Hydrochloric Acid SCHEMBL11236309 0.86 KCNH2 (0.64) CHRM2KCNH2HDAC3HDAC1HDAC2
Dimethylamine SCHEMBL8780943 0.85 KCNH2 (0.57) CHRM2KCNH2TSHRMAPTKCNJ1

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