SCHEMBL5809897

SCHEMBL5809897

CN1CCN(c2cccnc2CC2CCN(c3ccc(C4(O)CCCC4)cc3)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.35
ROCK2 O75116 5/20 0.33
SIGMAR1 Q99720 2/20 0.32
CXCR4 P61073 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL5811064 0.86 EGLN1 (0.35) EGLN1ROCK2CXCR4
SCHEMBL5164622 0.86 ROCK2 (0.37) ROCK2CXCR4
SCHEMBL1738621 0.85 ROCK2 (0.39) ROCK2SIGMAR1LMNA
SCHEMBL1737818 0.85 ROCK2 (0.39) ROCK2SIGMAR1LMNA
SCHEMBL1737234 0.85 ROCK2 (0.39) ROCK2SIGMAR1LMNA
SCHEMBL1738393 0.84 ROCK2 (0.39) ROCK2SIGMAR1LMNA
SCHEMBL1737745 0.84 ROCK2 (0.39) ROCK2SIGMAR1LMNA
SCHEMBL1737744 0.84 ROCK2 (0.39) ROCK2SIGMAR1LMNA
SCHEMBL5808251 0.84 EGLN1 (0.36) EGLN1ROCK2CXCR4
SCHEMBL1738835 0.83 ROCK2 (0.39) ROCK2SIGMAR1LMNA

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