SCHEMBL6456865

SCHEMBL6456865

O=C(O)c1ccc2c(c1)nnn2NCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 14/20 0.60
CYP4Z1 Q86W10 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP4F8 P98187 1/20 0.48
CYP4F12 Q9HCS2 1/20 0.48
HPGD P15428 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
EHMT2 Q96KQ7 1/20 0.46
EHMT1 Q9H9B1 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL6044251 0.86 HCAR3 (0.53) HCAR3HPGDHCAR2EHMT2
SCHEMBL6044721 0.86 HCAR3 (0.66) HCAR3
SCHEMBL6044303 0.75 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL5318327 0.72 HDAC6 (0.81) EHMT2EHMT1HDAC6
SCHEMBL5828225 0.70 HCAR3 (0.60) HCAR3HPGDHCAR2
SCHEMBL18033708 0.70 HCAR3 (0.60) HCAR3HPGDHCAR2
SCHEMBL2490016 0.70 HCAR3 (0.60) HCAR3HPGDHCAR2
SCHEMBL5921944 0.69 HCAR3 (0.68) HCAR3HPGDHCAR2
SCHEMBL30138440 0.68 HTT (0.62) HCAR3HPGDEHMT2EHMT1
SCHEMBL8424378 0.68 HCAR3 (0.66) HCAR3HPGDHCAR2

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-1585541-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2005-10-19 EP disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed