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Sugi Predict / Compounds / SCHEMBL5572908

SCHEMBL5572908

SCHEMBL5572908

O=C1N(c2ccccc2Cl)CCC12CCCN(c1ncccc1C(F)(F)F)C2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 16/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL549493 1.00 HSD11B1 (0.43) HSD11B1EGLN1EPHX2MALT1TRPV1
SCHEMBL2699712 1.00 HSD11B1 (0.43) HSD11B1EGLN1EPHX2MALT1TRPV1
SCHEMBL549835 0.90 HSD11B1 (0.45) HSD11B1EGLN1MALT1
SCHEMBL17082064 0.90 HSD11B1 (0.45) HSD11B1EGLN1MALT1
SCHEMBL4570053 0.87 MALT1 (0.52) HSD11B1EGLN1MALT1
SCHEMBL17082059 0.85 HSD11B1 (0.44) HSD11B1EGLN1MALT1
SCHEMBL550273 0.85 HSD11B1 (0.44) HSD11B1EGLN1MALT1
SCHEMBL4570051 0.84 HSD11B1 (0.41) HSD11B1EGLN1MALT1
SCHEMBL2699735 0.83 DRD2 (0.46) HSD11B1EGLN1MALT1
SCHEMBL2699628 0.83 DRD2 (0.46) HSD11B1EGLN1MALT1

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
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 — — EP disclosed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 — — WO disclosed