SCHEMBL6013546

SCHEMBL6013546

CCN(CC1CCC(C(=O)O)CC1)c1ncc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
GAA P10253 1/20 0.37
TAS2R14 Q9NYV8 4/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
GBA1 P04062 1/20 0.35
HCAR3 P49019 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6013545 1.00 MEN1 (0.37) MEN1KMT2AGAATAS2R14ALDH1A1
SCHEMBL5025675 0.84 TAS2R14 (0.38) MEN1KMT2AGAATAS2R14ALDH1A1
SCHEMBL5025673 0.84 TAS2R14 (0.38) MEN1KMT2AGAATAS2R14ALDH1A1
SCHEMBL5024111 0.76 PLG (0.35) MEN1KMT2AGAATAS2R14ALDH1A1
SCHEMBL5028495 0.76 PLG (0.35) MEN1KMT2AGAATAS2R14ALDH1A1
SCHEMBL5025729 0.73 JAK2 (0.37) ALDH1A1CYP4F2CYP4A11POLB
SCHEMBL5025727 0.73 JAK2 (0.37) ALDH1A1CYP4F2CYP4A11POLB
SCHEMBL1292139 0.72 VCP (0.53)
SCHEMBL5025534 0.72 TAS2R14 (0.40) MEN1KMT2AGAATAS2R14ALDH1A1
SCHEMBL5025529 0.72 TAS2R14 (0.40) MEN1KMT2AGAATAS2R14ALDH1A1

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-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP disclosed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed