SCHEMBL28197935

SCHEMBL28197935

NC(O)C(=O)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 6/20 0.48
ALDH1A1 P00352 4/20 0.46
DPP4 P27487 6/20 0.44
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP8 P22894 1/20 0.40
HPGD P15428 2/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
F2 P00734 1/20 0.39
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
HTT P42858 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
SCHEMBL14602772 0.79 ALDH1A1 (0.50) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL8612552 0.78 DPP4 (0.46) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL5891316 0.78 DPP4 (0.46) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL16935735 0.78 DPP4 (0.46) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL856280 0.78 DPP4 (0.46) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL16706638 0.78 DPP4 (0.47) DPP7ALDH1A1DPP4MMP1MMP2
Hydrochloric Acid SCHEMBL3947769 0.76 DPP4 (0.45) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL3404386 0.76 DPP7 (0.46) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL1539202 0.76 ALDH1A1 (0.46) DPP7ALDH1A1DPP4MMP1MMP2
SCHEMBL2768507 0.75 DPP4 (0.44) DPP7ALDH1A1DPP4MMP1MMP2

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
CN-107667106-A 2 (base of Pyrazolopyridine 3) pyrimidine derivatives as JAK inhibitor 阿尔米雷尔有限公司 2018-02-06 CN claimed
CN-107667106-A 2 (base of Pyrazolopyridine 3) pyrimidine derivatives as JAK inhibitor 阿尔米雷尔有限公司 2018-02-06 CN disclosed