SCHEMBL9764698

SCHEMBL9764698

O=C(Nc1ccccc1)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.60
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
FAAH O00519 1/20 0.49
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48

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
Hydrochloric Acid SCHEMBL31691170 0.99 TRPV1 (0.61) TRPV1LMNAKMT2AALDH1A1POLB
SCHEMBL5388983 0.89 TRPV1 (0.55) TRPV1LMNAHIF1AEPAS1GAA
SCHEMBL9764719 0.88 TRPV1 (0.56) TRPV1GAAHTTRAB9ANPC1
SCHEMBL9764649 0.80 LTA4H (0.49) TRPV1LMNAKMT2AALDH1A1HIF1A
SCHEMBL10349181 0.79 MCHR1 (0.57) TRPV1LMNAKMT2AALDH1A1GAA
SCHEMBL5610627 0.79 CACNA1B (0.63) TRPV1KMT2AGAAHTTRAB9A
SCHEMBL9764761 0.79 ACHE (0.49) TRPV1LMNAKMT2AALDH1A1POLB
SCHEMBL10928865 0.79 MCHR1 (0.57) ALDH1A1POLBGAARAB9AHPGD
SCHEMBL10929906 0.79 RAB9A (0.58) TRPV1KMT2AALDH1A1GAAHTT
SCHEMBL10930580 0.79 KCNK3 (0.53) TRPV1LMNAKMT2AALDH1A1POLB

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 11 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-4562201-A ANTIARRHYTHMIA AGNETS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-12-31 US 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