SCHEMBL9764604

SCHEMBL9764604

Oc1c(CN2CCCC2)cc(OCc2ccccc2)cc1CN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.58
KDM4E B2RXH2 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MITF O75030 2/20 0.56
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
LTA4H P09960 1/20 0.54
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL9764618 0.79 ALDH1A1 (0.55) HRH3KDM4EL3MBTL1MITFHTT
SCHEMBL26009644 0.78 S1PR1 (0.67) HRH3KDM4ESMN1; SMN2NPSR1LTA4H
SCHEMBL31484892 0.74 HRH3 (0.78) HRH3KDM4EHTTSMN1; SMN2NPSR1
SCHEMBL7811609 0.73 NPC1 (0.78) HRH3KDM4EHTTSMN1; SMN2NPSR1
SCHEMBL10011199 0.72 ALDH1A1 (0.56) HRH3KDM4EL3MBTL1HTTNPSR1
SCHEMBL4012665 0.72 CYP1A2 (0.50) KDM4EL3MBTL1LMNARAB9ANPC1
SCHEMBL9734338 0.71 HRH3 (0.60) HRH3KDM4EHTTSMN1; SMN2NPSR1
SCHEMBL10008027 0.71 ALDH1A1 (0.59) HRH3KDM4EHTTSMN1; SMN2ALOX15
SCHEMBL9764649 0.71 LTA4H (0.49) HRH3KDM4EL3MBTL1SMN1; SMN2LMNA
SCHEMBL30275949 0.70 KDM4E (0.56) HRH3KDM4EL3MBTL1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059620-A Antiarrhythmia agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-22 US 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