SCHEMBL9764761

SCHEMBL9764761

Nc1ccc(C(=O)Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
APEX1 P27695 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRPV1 Q8NER1 3/20 0.47
HPGD P15428 2/20 0.46
TNF P01375 1/20 0.46
SNCA P37840 1/20 0.46
MCHR1 Q99705 6/20 0.45
HTR2C P28335 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 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
SCHEMBL10349181 0.87 MCHR1 (0.57) MEN1LMNAKMT2ATRPV1HPGD
SCHEMBL10928865 0.87 MCHR1 (0.57) POLBHPGDTNFMCHR1HTR2C
SCHEMBL5388983 0.87 TRPV1 (0.55) LMNAPKMTRPV1MCHR1HTR2C
SCHEMBL9764719 0.86 TRPV1 (0.56) PKMTRPV1MCHR1MAPT
SCHEMBL10929115 0.85 HIF1A (0.56) MEN1LMNAKMT2ATRPV1CYP2C9
SCHEMBL10930726 0.84 MCHR1 (0.59) MEN1LMNAPOLBPKMKMT2A
SCHEMBL10931197 0.83 MEN1 (0.55) MEN1LMNAPOLBKMT2ATDP1
SCHEMBL10929906 0.79 RAB9A (0.58) MEN1KMT2ATRPV1HPGDALDH1A1
SCHEMBL10930580 0.79 KCNK3 (0.53) MEN1LMNAPOLBPKMKMT2A
SCHEMBL9764698 0.79 TRPV1 (0.60) LMNAPOLBKMT2ATRPV1HPGD

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