SCHEMBL8273733

SCHEMBL8273733

C[C@](O)(C(=O)NCC1CCN(c2ccc(F)cc2N)CC1)[C@@H](O)C(=O)N1Cc2ccncc2C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 18/20 0.43
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL8224777 0.90 NAMPT (0.42) NAMPT
SCHEMBL8275982 0.87 NAMPT (0.41) NAMPT
SCHEMBL8275285 0.85 NAMPT (0.42) NAMPTHDAC2HDAC1
SCHEMBL13542638 0.78 NAMPT (0.41) NAMPT
SCHEMBL8275479 0.77 CKS1B (0.39) HDAC2HDAC1
SCHEMBL8217661 0.77 CHRM4 (0.43) NAMPT
SCHEMBL12216389 0.76 NAMPT (0.41) NAMPT
SCHEMBL8276118 0.75 ADAM17 (0.43) NAMPT
SCHEMBL8274407 0.75 ADAM17 (0.43) NAMPT
SCHEMBL8214539 0.74 ADAM17 (0.45) 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
Send feedback