SCHEMBL5811064

SCHEMBL5811064

COC1(c2ccc(N3CCC(Cc4ncccc4N4CCN(C)CC4)C3=O)cc2)CCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.35
ROCK2 O75116 7/20 0.35
CXCR4 P61073 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL5813290 0.96 EGLN1 (0.34) EGLN1ROCK2CXCR4
SCHEMBL5809897 0.86 EGLN1 (0.35) EGLN1ROCK2CXCR4
SCHEMBL1737813 0.86 ROCK2 (0.40) ROCK2HTR2C
SCHEMBL5808251 0.84 EGLN1 (0.36) EGLN1ROCK2CXCR4
SCHEMBL5167675 0.82 ELANE (0.35) ROCK2
SCHEMBL5810493 0.81 EGLN1 (0.35) EGLN1CXCR4
SCHEMBL5810004 0.80 EGLN1 (0.38) EGLN1CXCR4
SCHEMBL5806997 0.79 UGCG (0.35) ROCK2BCHEACHE
SCHEMBL5809686 0.78 EGLN1 (0.39) EGLN1ROCK2
SCHEMBL5822403 0.78 EGLN1 (0.45) EGLN1CXCR4

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
WO-2006106416-A1 PYRIDIL-LACTAMS AND THEIR USE 5 -HTl RECEPTORS LIGAN PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
WO-2006106416-A1 PYRIDIL-LACTAMS AND THEIR USE 5 -HTl RECEPTORS LIGAN PFIZER PRODUCTS INC. (US) 2006-10-12 WO disclosed