SCHEMBL5806941

SCHEMBL5806941

Cc1nc(-c2ccc(N3CCCC(Cc4ncccc4N4CCN(C)CC4)C3=O)cc2)co1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
EGLN1 Q9GZT9 5/20 0.33
CXCR4 P61073 5/20 0.33
ROCK2 O75116 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
P2RX3 P56373 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
SCHEMBL5822134 0.90 ROCK2 (0.32) CXCR4ROCK2
SCHEMBL5811828 0.90 ROCK2 (0.32) CXCR4ROCK2
SCHEMBL5606422 0.87 POLB (0.44) POLBTP53MAPTLMNARXFP1
SCHEMBL5606187 0.87 POLB (0.44) POLBTP53MAPTLMNARXFP1
SCHEMBL1737749 0.87 POLB (0.44) POLBTP53MAPTLMNARXFP1
SCHEMBL5180557 0.87 ELANE (0.38) POLBTP53MAPTLMNARXFP1
SCHEMBL5806927 0.87 ROCK2 (0.34) EGLN1CXCR4ROCK2GPR119
SCHEMBL5807940 0.85 EGLN1 (0.33) EGLN1CXCR4ROCK2
SCHEMBL5819231 0.85 ADAM17 (0.36) ROCK2P2RX3
SCHEMBL5811632 0.84 EGLN1 (0.33) EGLN1CXCR4ROCK2

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