SCHEMBL7673952

SCHEMBL7673952

CN(C)c1cc[c]c(CCc2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
CHKA P35790 5/20 0.38
CNR1 P21554 3/20 0.38
CHKB Q9Y259 1/20 0.38
CALM1 P0DP23 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FDPS P14324 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL7673825 0.82 CALM1 (0.53) AOC3CALM1SIGMAR1TAAR1
SCHEMBL1419583 0.80 CALM1 (0.33) CHKACALM1ALDH1A1ALOX15HSD17B10
SCHEMBL7664380 0.78 TAAR1 (0.38) AOC3TAAR1KDM4EALDH1A1ALOX15
SCHEMBL7690876 0.77 CYP1A2 (0.51) AOC3CALM1KDM4EALDH1A1DAO
SCHEMBL7676584 0.75 HTT (0.40) CNR1CALM1TAAR1KDM4EALDH1A1
SCHEMBL10891163 0.71 KDM4A (0.35) KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL10889535 0.71 KDM4A (0.35) KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL27610744 0.71 ALDH1A1 (0.33) ALDH1A1ALOX15HSD17B10
SCHEMBL8939738 0.69 ALDH1A1 (0.39) AOC3CHKACALM1TAAR1ALDH1A1
SCHEMBL3217368 0.68 ALDH1A1 (0.38) CHKAKDM4EALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395730-B1 CARDIOVASCULAR DISORDERS ICAGEN, INC. 2002-05-28 US disclosed
US-6174908-B1 TREATING DISEASE, CONDITION, OR DISORDER WHICH RESPONDS TO INHIBITION OF POTASSIUM CHANNEL FUNCTION BY ADMINISTERING THIAZOLIDONE OR METATHIAZONONE COMPOUND, ITS SALT, AMIDE, ESTER, COMPLEX, CHELATE, HYDRATE, STEREOISOMER, METABOLITE ICAGEN, INC. 2001-01-16 US disclosed