SCHEMBL5811632

SCHEMBL5811632

Cc1ocnc1-c1ccc(N2CCCC(Cc3ncccc3N3CCN(C)CC3)C2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.33
HTR6 P50406 1/20 0.32
MAP4K1 Q92918 2/20 0.32
ROCK2 O75116 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR4 P61073 3/20 0.31
FPR1 P21462 2/20 0.31
FPR2 P25090 2/20 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
SCHEMBL5807940 0.88 EGLN1 (0.33) EGLN1HTR6ROCK2MEN1KMT2A
SCHEMBL5809475 0.85 ELANE (0.33) EGLN1HTR6MEN1KMT2ACXCR4
SCHEMBL5820989 0.85 CYP1A2 (0.40)
SCHEMBL5806941 0.84 POLB (0.39) EGLN1ROCK2CXCR4
SCHEMBL5806875 0.84 EGLN1 (0.35) EGLN1ROCK2MEN1KMT2ACXCR4
SCHEMBL5806927 0.84 ROCK2 (0.34) EGLN1HTR6ROCK2CXCR4FPR1
SCHEMBL5819231 0.82 ADAM17 (0.36) ROCK2
SCHEMBL5809651 0.82 ROCK2 (0.35) EGLN1ROCK2
SCHEMBL5808116 0.82 FPR2 (0.38) EGLN1MEN1KMT2ACXCR4FPR1
SCHEMBL5822134 0.81 ROCK2 (0.32) HTR6ROCK2CXCR4

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