SCHEMBL5807940

SCHEMBL5807940

Cc1nc(-c2ccc(N3CCCC(Cc4ncccc4N4CCN(C)CC4)C3=O)cc2)c(C)o1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.33
CXCR4 P61073 6/20 0.33
ELANE P08246 1/20 0.32
HTR6 P50406 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PTK2 Q05397 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ROCK2 O75116 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5809651 0.95 ROCK2 (0.35) EGLN1ADORA2AADORA1PTK2ROCK2
SCHEMBL5809475 0.91 ELANE (0.33) EGLN1CXCR4ELANEHTR6ADORA2A
SCHEMBL5807042 0.90 EGLN1 (0.33) EGLN1ROCK2
SCHEMBL5811632 0.88 EGLN1 (0.33) EGLN1CXCR4HTR6MEN1KMT2A
SCHEMBL5165446 0.87 ELANE (0.39) CXCR4ELANEROCK2
SCHEMBL5806941 0.85 POLB (0.39) EGLN1CXCR4ROCK2
SCHEMBL5806875 0.85 EGLN1 (0.35) EGLN1CXCR4ELANEMEN1KMT2A
SCHEMBL5820989 0.84 CYP1A2 (0.40)
SCHEMBL5819231 0.82 ADAM17 (0.36) ROCK2
SCHEMBL5806927 0.82 ROCK2 (0.34) EGLN1CXCR4HTR6ROCK2

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