SCHEMBL5260665

SCHEMBL5260665

CCC1=C(NC(CC)(Cc2ccc(Oc3nc(C)cc4ccncc34)cn2)C(=O)O)CCC1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.31
DRD1 P21728 1/20 0.30

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
SCHEMBL5262528 0.94 EGLN1 (0.30) EGLN1
SCHEMBL5262859 0.93
SCHEMBL5264252 0.82 PPARG (0.33) EGLN1DRD1
SCHEMBL5260175 0.80 LATS1 (0.33)
SCHEMBL5260655 0.80 NLRP3 (0.34) DRD1
SCHEMBL5264794 0.77 SLC22A12 (0.33) DRD1
SCHEMBL5260662 0.76 DRD1 (0.32) EGLN1DRD1
SCHEMBL5263308 0.76 PPARG (0.33) EGLN1DRD1
SCHEMBL5261699 0.75 FFAR1 (0.35) DRD1
SCHEMBL5261700 0.75 FFAR1 (0.35) DRD1

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-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
US-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed