SCHEMBL6131868

SCHEMBL6131868

COc1ccc(CN2CCCC2)cc1OCC#N

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 1/20 0.50
DRD2 P14416 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CHEK1 O14757 1/20 0.47

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
SCHEMBL7680831 0.86 DRD2 (0.64) MAPK1HSD17B10KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL6132064 0.85 DRD2 (0.63) MAPK1HSD17B10KMT2AMEN1GAA
SCHEMBL6131905 0.85 DRD2 (0.63) MAPK1HSD17B10KMT2AMEN1GAA
Bromide SCHEMBL6132084 0.84 DRD2 (0.61) MAPK1HSD17B10KMT2AMEN1GAA
SCHEMBL16884151 0.84 GAA (0.63) MAPK1KMT2AMEN1GAASIGMAR1
SCHEMBL28191613 0.82 GAA (0.66) MAPK1KMT2AMEN1GAASIGMAR1
SCHEMBL1600111 0.77 KMT2A (0.65) MAPK1HSD17B10KMT2AMEN1SIGMAR1
SCHEMBL3377384 0.77 KDM4E (0.64) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL5667128 0.76 DRD2 (0.65) MAPK1HSD17B10KMT2AMEN1DRD2
Hydrochloric Acid SCHEMBL5667186 0.75 DRD2 (0.64) MAPK1HSD17B10KMT2AMEN1DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed