SCHEMBL11070643

SCHEMBL11070643

CN1C(=O)CCc2cccc(OCC(O)CN3CCC(c4ccccc4)CC3)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
SLC18A3 Q16572 1/20 0.49
ABCB1 P08183 5/20 0.48
SCN1A P35498 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
LMNA P02545 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
CHRM3 P20309 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
SCHEMBL11067472 0.85 KCNH2 (0.54) KCNH2SLC18A3ABCB1SCN1ASCN5A
SCHEMBL10570340 0.85 MAPT (0.59) ABCB1
SCHEMBL11072146 0.81 KCNH2 (0.48) KCNH2SLC18A3ABCB1SCN1ASCN5A
SCHEMBL11071842 0.80 SLC18A3 (0.48) KCNH2SLC18A3LMNACHRM2CHRM4
SCHEMBL11067922 0.79 KCNH2 (0.49) KCNH2SLC18A3ABCB1SCN1ASCN5A
SCHEMBL11064811 0.79 KCNH2 (0.53) KCNH2SLC18A3ABCB1SCN1ASCN5A
SCHEMBL11603165 0.75 DRD4 (0.72) KCNH2ADRB1LMNAALDH1A1DRD2
SCHEMBL11061136 0.75 KCNH2 (0.56) KCNH2ABCB1SCN1ASCN5ASCN9A
SCHEMBL9122718 0.75 HTR1A (0.53) KCNH2SLC18A3ABCB1LMNANPY1R
Hydrochloric Acid SCHEMBL11602209 0.74 DRD4 (0.71) KCNH2LMNAALDH1A1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed