SCHEMBL11061316

SCHEMBL11061316

O=C1CCc2c(cccc2OCC(O)CN2CCC(c3ccccc3)CC2)N1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.69
SCN9A Q15858 4/20 0.69
SCN1A P35498 3/20 0.69
KCNH2 Q12809 2/20 0.55
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR1A P08908 1/20 0.54
OPRK1 P41145 1/20 0.54
ABCB1 P08183 4/20 0.50
SLC18A3 Q16572 1/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL11066967 0.89 SCN1A (0.55) SCN5ASCN9ASCN1AKCNH2ADRB2
SCHEMBL11073906 0.87 SCN1A (0.70) SCN5ASCN9ASCN1AADRB2ADRB1
SCHEMBL11072939 0.87 DRD4 (0.62) SCN5ASCN9ASCN1AADRB2ADRB1
SCHEMBL11073911 0.85 SCN1A (0.60) SCN5ASCN9ASCN1AKCNH2ADRB2
SCHEMBL10571929 0.84 SCN5A (0.68) SCN5ASCN9ASCN1AKCNH2ADRB2
SCHEMBL11071869 0.84 SCN1A (0.55) SCN5ASCN9ASCN1AKCNH2SLC18A3
Hydrochloric Acid SCHEMBL10572281 0.83 SCN5A (0.67) SCN5ASCN9ASCN1AKCNH2ADRB2
SCHEMBL11073435 0.82 HTR7 (0.48) SCN5ASCN9ASCN1ADRD2DRD4
SCHEMBL10573893 0.82 SCN5A (0.56) SCN5ASCN9ASCN1AKCNH2ADRB2
SCHEMBL11069036 0.81 SCN1A (0.52) SCN5ASCN9ASCN1AKCNH2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57035588-A None JP disclosed
JP-56043280-A None JP disclosed
US-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed
JP-S5735588-A CARBOSTYRILE DERIVATIVE OTSUKA PHARMACEUT CO LTD 1982-02-26 JP disclosed
JP-S5643280-A CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1981-04-21 JP disclosed