SCHEMBL10929906

SCHEMBL10929906

O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 3/20 0.58
HTT P42858 2/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 3/20 0.50
TRPV1 Q8NER1 2/20 0.50
MEN1 O00255 2/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
ACKR3 P25106 1/20 0.50
SLC2A1 P11166 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 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
SCHEMBL10928865 0.86 MCHR1 (0.57) RAB9ANPC1GAAMAPTHPGD
SCHEMBL5388983 0.86 TRPV1 (0.55) RAB9ANPC1HTTGAATRPV1
SCHEMBL10930580 0.86 KCNK3 (0.53) RAB9ANPC1HTTGAAKMT2A
SCHEMBL9764719 0.85 TRPV1 (0.56) RAB9ANPC1HTTGAATRPV1
SCHEMBL10929245 0.84 CHRM3 (0.57) KMT2AMEN1SLC2A1HPGDALDH1A1
SCHEMBL17740375 0.83 RAB9A (0.76) RAB9ANPC1HTTGAAKMT2A
SCHEMBL10349147 0.83 TRPV1 (0.47) RAB9AHTTGAATRPV1ACKR3
SCHEMBL10927769 0.81 KMT2A (0.58) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL10349077 0.80 HPGD (0.55) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL10349181 0.79 MCHR1 (0.57) RAB9ANPC1HTTGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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