SCHEMBL11063283

SCHEMBL11063283

O=C1CCc2c(Cl)ccc(OCC(O)CN3CCC(c4ccccc4)CC3)c2N1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
SLC18A3 Q16572 1/20 0.43
DRD4 P21917 1/20 0.42
ABCB1 P08183 2/20 0.42
SCN1A P35498 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL10570121 0.86 ABCB1 (0.51) MEN1KMT2AATMUSP2HTT
SCHEMBL11061136 0.84 KCNH2 (0.56) KCNH2ADRB2ADRB1ADRB3DRD4
SCHEMBL11068145 0.77 KCNH2 (0.49) KCNH2
SCHEMBL11066712 0.75 DRD4 (0.55) MEN1KMT2AATMADRB2ADRB1
SCHEMBL11064919 0.74 ADRB2 (0.51) KCNH2ADRB2ADRB1ADRB3SLC18A3
SCHEMBL11067546 0.74 KCNH2 (0.52) KCNH2ADRB2ADRB1ADRB3SLC18A3
SCHEMBL11070643 0.74 KCNH2 (0.54) KCNH2ADRB2ADRB1ADRB3SLC18A3
SCHEMBL11067472 0.74 KCNH2 (0.54) KCNH2ADRB2ADRB1ADRB3SLC18A3
SCHEMBL11065039 0.74 DRD4 (0.60) MEN1KMT2AATMADRB2ADRB1
SCHEMBL11067922 0.74 KCNH2 (0.49) KCNH2ADRB2ADRB1ADRB3SLC18A3

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