SCHEMBL11067922

SCHEMBL11067922

CN1C(=O)CCc2c1ccc(OCC(O)CN1CCC(c3ccccc3)CC1)c2Br

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
SLC18A3 Q16572 3/20 0.47
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
LMNA P02545 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
ABCB1 P08183 4/20 0.41

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 0.88 KCNH2 (0.54) KCNH2SLC18A3SCN1ASCN5ASCN9A
SCHEMBL10572762 0.85 MAPT (0.51) LMNAABCB1
SCHEMBL11072146 0.84 KCNH2 (0.48) KCNH2SLC18A3SCN1ASCN5ASCN9A
SCHEMBL11070643 0.79 KCNH2 (0.54) KCNH2SLC18A3SCN1ASCN5ASCN9A
SCHEMBL11071842 0.78 SLC18A3 (0.48) KCNH2SLC18A3LMNA
SCHEMBL11071272 0.78 DRD4 (0.45) KCNH2SLC18A3
SCHEMBL11064811 0.76 KCNH2 (0.53) KCNH2SLC18A3SCN1ASCN5ASCN9A
SCHEMBL11073897 0.76 ABCB1 (0.62) ADRB2ADRB1ADRB3ABCB1
SCHEMBL11061136 0.75 KCNH2 (0.56) KCNH2SCN1ASCN5ASCN9AADRB2
SCHEMBL11067546 0.74 KCNH2 (0.52) KCNH2SLC18A3SCN1ASCN5ASCN9A

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