SCHEMBL11538407

SCHEMBL11538407

Cc1cc(OCC(O)CN2CCC(COc3ccccc3)CC2)c2nc[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
DRD4 P21917 8/20 0.49
DRD2 P14416 4/20 0.48
DRD3 P35462 3/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
CHRNA7 P36544 1/20 0.44
LMNA P02545 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
ATM Q13315 1/20 0.44
PRMT5 O14744 1/20 0.44
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL11538844 0.99 KMT2A (0.52) KMT2AMEN1DRD4DRD2DRD3
SCHEMBL11499199 0.87 DRD4 (0.53) DRD4DRD2DRD3L3MBTL1PRMT5
SCHEMBL11538680 0.87 KMT2A (0.50) KMT2AMEN1DRD4DRD2DRD3
SCHEMBL11538412 0.86 KMT2A (0.51) KMT2AMEN1DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL11538853 0.85 KMT2A (0.52) KMT2AMEN1DRD4DRD2DRD3
Ether SCHEMBL11596436 0.81 HTR1A (0.48) KMT2AMEN1DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL11544129 0.80 KMT2A (0.56) KMT2AMEN1DRD4DRD2DRD3
SCHEMBL11537076 0.78 DRD4 (0.53) DRD4DRD2DRD3GAAL3MBTL1
SCHEMBL11543042 0.76 HTR1A (0.62) DRD4DRD2LMNA
SCHEMBL11538737 0.76 MEN1 (0.56) KMT2AMEN1DRD4DRD2ATM

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