SCHEMBL5813290

SCHEMBL5813290

COC1(c2ccc(N3CCCC(Cc4ncccc4N4CCN(C)CC4)C3=O)cc2)CCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.34
CXCR4 P61073 3/20 0.32
FPR2 P25090 3/20 0.32
ROCK2 O75116 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5811064 0.96 EGLN1 (0.35) EGLN1CXCR4ROCK2
SCHEMBL5167675 0.86 ELANE (0.35) FPR2ROCK2
SCHEMBL5810493 0.85 EGLN1 (0.35) EGLN1CXCR4FPR2MEN1KMT2A
SCHEMBL5810004 0.84 EGLN1 (0.38) EGLN1CXCR4FPR2
SCHEMBL5822403 0.82 EGLN1 (0.45) EGLN1CXCR4MEN1KMT2A
SCHEMBL5808116 0.82 FPR2 (0.38) EGLN1CXCR4FPR2MEN1KMT2A
SCHEMBL5809897 0.82 EGLN1 (0.35) EGLN1CXCR4ROCK2
SCHEMBL1737813 0.81 ROCK2 (0.40) ROCK2
SCHEMBL5808251 0.80 EGLN1 (0.36) EGLN1CXCR4ROCK2
SCHEMBL5808001 0.79 ACACB (0.34) EGLN1FPR2MEN1KMT2A

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