SCHEMBL4779485

SCHEMBL4779485

NC(C=O)C(c1ccc(Br)s1)N1Cc2cccnc2C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
NAMPT P43490 1/20 0.30
ADORA2A P29274 2/20 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
SCHEMBL4779334 0.83
SCHEMBL4779060 0.74 CYP1A2 (0.42)
SCHEMBL4778154 0.65 ABL1 (0.34)
SCHEMBL4779481 0.65 DPP8 (0.54) DPP8DPP9NAMPT
SCHEMBL4794727 0.65 DPP8 (0.54) DPP8DPP9NAMPT
SCHEMBL9963375 0.64 DPP8 (0.46) DPP8DPP9NAMPTADORA2A
SCHEMBL19104710 0.63 ADORA2A (0.39) DPP8DPP9NAMPTADORA2A
SCHEMBL8189202 0.61 TIPARP (0.40) DPP8DPP9NAMPT
SCHEMBL20651754 0.60 DPP8 (0.51) DPP8DPP9NAMPTADORA2A
SCHEMBL19116855 0.59 DPP8 (0.44) DPP8DPP9NAMPTADORA2A

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-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed