SCHEMBL8275285

SCHEMBL8275285

Nc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccncc3C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 18/20 0.42
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC1 Q13547 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
SCHEMBL8276118 0.90 ADAM17 (0.43) NAMPT
SCHEMBL8274407 0.90 ADAM17 (0.43) NAMPT
SCHEMBL12216389 0.89 NAMPT (0.41) NAMPT
SCHEMBL8214539 0.89 ADAM17 (0.45) NAMPT
SCHEMBL8275981 0.85 NAMPT (0.42) NAMPT
SCHEMBL8273733 0.85 NAMPT (0.43) NAMPTHDAC2HDAC1
SCHEMBL8273768 0.85 HPGDS (0.38) NAMPTHDAC2HDAC1
SCHEMBL8273591 0.84 ADAM17 (0.43) NAMPTHDAC2HDAC1
SCHEMBL8273310 0.84 GAA (0.44) NAMPT
SCHEMBL8273592 0.83 HTT (0.46) NAMPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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