SCHEMBL6230180

SCHEMBL6230180

Cc1cccc2c1CN(C(=O)CC(C)(C)N)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 1/20 0.44
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
NOTUM Q6P988 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A9 P48067 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
ABHD6 Q9BV23 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
DPP4 P27487 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6232130 0.87 TRAP1 (0.38) TRAP1DPP8DPP9DPP7NOTUM
SCHEMBL6231874 0.86 DPP8 (0.54) TRAP1DPP8DPP9DPP7ABHD6
SCHEMBL5068829 0.85 NOTUM (0.52) DPP8DPP9DPP7NOTUMCYP3A4
SCHEMBL6229746 0.84 ABHD6 (0.55) TRAP1DPP8SLC6A9CYP2C9ABHD6
SCHEMBL18376168 0.80 TRAP1 (0.49) TRAP1DPP8DPP9DPP7NOTUM
SCHEMBL13473657 0.77 RIPK1 (0.53) TRAP1NOTUMMEN1KMT2ASLC6A9
SCHEMBL27908431 0.77 TRAP1 (0.51) TRAP1DPP8DPP9DPP7NOTUM
SCHEMBL6230084 0.76 SMO (0.33) DPP7KMT2AALDH1A1HPGDDPP4
SCHEMBL6229458 0.75 DPP8 (0.51) DPP8DPP9DPP7MEN1KMT2A
SCHEMBL6253251 0.75 NOTUM (0.58) DPP8DPP7NOTUMMEN1KMT2A

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
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed