SCHEMBL7624686

SCHEMBL7624686

N#Cc1cccc(C2C3=C(CCC3)NC3=C2SCC3)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.56
ABCC8 Q09428 3/20 0.56
KCNJ11 Q14654 3/20 0.56
KCNJ8 Q15842 3/20 0.56
DRD2 P14416 10/20 0.40
DRD3 P35462 10/20 0.40
NOTCH1 P46531 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP1 P29466 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL7232595 0.89 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8DRD2
SCHEMBL6434255 0.84 ABCC9 (0.77) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL7625050 0.82 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL6905395 0.80 ABCC9 (0.77) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL6431754 0.80 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8DRD2
SCHEMBL5079077 0.78 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL6909574 0.78 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8DRD2
SCHEMBL7836158 0.77 ABCC9 (0.84) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL7623743 0.76 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8DRD2
SCHEMBL7620062 0.73 MAPT (0.41) CYP2D6TSHRNFKB1CACNA1FCACNA1D

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
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP claimed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO claimed