SCHEMBL11067472

SCHEMBL11067472

CN1C(=O)CCc2c(OCC(O)CN3CCC(c4ccccc4)CC3)cccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
ABCB1 P08183 6/20 0.49
SLC18A3 Q16572 1/20 0.49
SCN1A P35498 2/20 0.48
SCN5A Q14524 2/20 0.48
SCN9A Q15858 2/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
LMNA P02545 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL11071272 0.90 DRD4 (0.45) KCNH2SLC18A3DRD4
SCHEMBL11067922 0.88 KCNH2 (0.49) KCNH2ABCB1SLC18A3SCN1ASCN5A
SCHEMBL11073897 0.87 ABCB1 (0.62) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL11061136 0.86 KCNH2 (0.56) KCNH2ABCB1SCN1ASCN5ASCN9A
SCHEMBL11070643 0.85 KCNH2 (0.54) KCNH2ABCB1SLC18A3SCN1ASCN5A
Oxalic Acid SCHEMBL11060455 0.85 ABCB1 (0.61) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL11064919 0.85 ADRB2 (0.51) KCNH2ABCB1SLC18A3SCN1ASCN5A
SCHEMBL11067546 0.85 KCNH2 (0.52) KCNH2ABCB1SLC18A3SCN1ASCN5A
SCHEMBL10569856 0.85 MAPT (0.59) ABCB1SCN1ASCN5ASCN9AADRB2
SCHEMBL11064811 0.84 KCNH2 (0.53) KCNH2ABCB1SLC18A3SCN1ASCN5A

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