SCHEMBL5809475

SCHEMBL5809475

CCc1nc(-c2ccc(N3CCCC(Cc4ncccc4N4CCN(C)CC4)C3=O)cc2)c(C)o1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.33
CXCR4 P61073 4/20 0.32
GNRHR P30968 1/20 0.31
EGLN1 Q9GZT9 5/20 0.31
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31
HTR6 P50406 1/20 0.31
HCRTR2 O43614 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
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
SCHEMBL5807940 0.91 EGLN1 (0.33) ELANECXCR4EGLN1HTR6ADORA2A
SCHEMBL5809651 0.86 ROCK2 (0.35) EGLN1ADORA2AADORA1
SCHEMBL5811632 0.85 EGLN1 (0.33) CXCR4EGLN1FPR1FPR2HTR6
SCHEMBL5806875 0.83 EGLN1 (0.35) ELANECXCR4EGLN1FPR1FPR2
SCHEMBL5820989 0.82 CYP1A2 (0.40)
SCHEMBL5807042 0.82 EGLN1 (0.33) EGLN1FPR1FPR2
SCHEMBL5806941 0.82 POLB (0.39) CXCR4EGLN1
SCHEMBL5806927 0.80 ROCK2 (0.34) CXCR4EGLN1FPR1FPR2HTR6
SCHEMBL5819231 0.80 ADAM17 (0.36)
SCHEMBL5808116 0.79 FPR2 (0.38) CXCR4EGLN1FPR1FPR2MEN1

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