SCHEMBL9670646

SCHEMBL9670646

OCC(Br)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC22A2 O15244 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 3/20 0.33
PRKCA P17252 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL15759784 0.80 DPP4 (0.42) ALDH1A1
SCHEMBL27694056 0.76 ALDH1A1 (0.39) KMT2AMEN1CYP2C19SLC22A2SLC47A1
SCHEMBL4137129 0.75 KMT2A (0.44) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL9619395 0.74 ALDH1A1 (0.38) KMT2AMEN1SLC22A2SLC47A1NPC1
SCHEMBL3813603 0.73 KMT2A (0.48) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL5261666 0.73 GRIN2D (0.41) KMT2AMEN1SLC22A2SLC47A1MAPT
SCHEMBL14695859 0.71 SLC22A2 (0.50) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL5597864 0.71 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL14418633 0.71 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL5301476 0.71 SLC22A2 (0.50) KMT2AMEN1CYP2D6CYP2C19SLC22A2

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-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed