SCHEMBL9764759

SCHEMBL9764759

O=C(NCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.51
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
APP P05067 1/20 0.47
CHRM3 P20309 1/20 0.47
TTR P02766 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL10934956 0.88 MCHR1 (0.56) L3MBTL1ALDH1A1CHRM3CYP2D6HDAC1
SCHEMBL10929245 0.87 CHRM3 (0.57) L3MBTL1ALDH1A1MEN1KMT2ACHRM3
SCHEMBL10928815 0.84 CHRM3 (0.59) L3MBTL1ALDH1A1CHRM3
SCHEMBL10348888 0.83 CHRM3 (0.55) L3MBTL1ALDH1A1CHRM3
SCHEMBL5388983 0.82 TRPV1 (0.55) CACNA1BHIF1A
SCHEMBL9764719 0.81 TRPV1 (0.56) CACNA1B
SCHEMBL10348889 0.80 CHRM3 (0.57) ALDH1A1MEN1KMT2ACHRM3
SCHEMBL9764649 0.78 LTA4H (0.49) CACNA1BL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL22145190 0.77 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ACYP2D6HDAC1
SCHEMBL9764698 0.76 TRPV1 (0.60) ALDH1A1KMT2AHIF1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113778-B1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-09 EP claimed
US-5059620-A Antiarrhythmia agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-22 US disclosed
EP-0113778-B1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-09 EP disclosed
US-4923873-A ANTIARRHYTHMIA AGENTS; SIDE EFFECT REDUCTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-08 US disclosed
US-4755527-A Aryl substituted aminomethyl benzene derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-07-05 US disclosed
US-4748184-A Aryl substituted aminomethyl benzene derivatives having antiarrhythmic utility E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-31 US disclosed
US-4562201-A ANTIARRHYTHMIA AGNETS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-12-31 US disclosed
EP-0113778-A4 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1985-06-06 EP disclosed
EP-0113778-A1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1984-07-25 EP disclosed
WO-1984000545-A1 ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS AMERICAN HOSPITAL SUPPLY CORP (US) 1984-02-16 WO disclosed