SCHEMBL11538680

SCHEMBL11538680

Cc1cc(OCC(O)CN2CCC(COc3ccccc3)CC2)c2nn[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
DRD4 P21917 7/20 0.48
DRD2 P14416 4/20 0.48
DRD3 P35462 3/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA7 P36544 1/20 0.43
MAPT P10636 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL11537149 0.87 DRD4 (0.52) DRD4DRD2DRD3GAAL3MBTL1
SCHEMBL11541942 0.87 GAA (0.51) KMT2AMEN1DRD4DRD2GAA
SCHEMBL11538407 0.87 KMT2A (0.51) KMT2AMEN1DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL11538648 0.86 L3MBTL1 (0.51) KMT2ADRD4DRD2DRD3GAA
Hydrochloric Acid SCHEMBL11538844 0.86 KMT2A (0.52) KMT2AMEN1DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL11371230 0.82 ADRB2 (0.43) KMT2AMEN1DRD4GAALMNA
SCHEMBL11538412 0.80 KMT2A (0.51) KMT2AMEN1DRD4DRD2DRD3
SCHEMBL11542265 0.79 ADRB2 (0.54) KMT2AMEN1DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL11544129 0.79 KMT2A (0.56) KMT2AMEN1DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL11538853 0.79 KMT2A (0.52) KMT2AMEN1DRD4DRD2DRD3

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-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed