SCHEMBL28014192

SCHEMBL28014192

CCCCC(Cl)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.53
PRCP P42785 3/20 0.49
TLR2 O60603 2/20 0.44
SIGMAR1 Q99720 1/20 0.35
CTSK P43235 2/20 0.34
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
METAP1 P53582 1/20 0.33
DRD3 P35462 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL21105823 0.80 PRCP (0.56) DPP7PRCPTLR2SLC6A3DRD3
SCHEMBL27972502 0.79 DPP7 (0.49) DPP7PRCPTLR2SIGMAR1CTSK
SCHEMBL19687949 0.78 DPP7 (0.47) DPP7PRCPTLR2CTSKCTSL
SCHEMBL19687950 0.78 DPP7 (0.47) DPP7PRCPTLR2CTSKCTSL
SCHEMBL14315876 0.78 DPP7 (0.47) DPP7PRCPTLR2CTSKCTSL
SCHEMBL27558572 0.77 EPHX2 (0.41) DPP7CTSKCTSLCTSBMETAP1
SCHEMBL27345589 0.77 CTSK (0.40) SIGMAR1CTSKCTSLCTSBMETAP1
SCHEMBL27276206 0.77 EPHX2 (0.35) CTSKCTSLCTSBCYP3A4METAP1
SCHEMBL6987475 0.77 PRCP (0.48) DPP7PRCPTLR2CYP1A2CYP3A4
SCHEMBL3771163 0.76 NOS2 (0.39) DPP7PRCPTLR2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864252-B Method for preparing NRX-1074 中国人民解放军军事科学院军事医学研究院 2020-07-28 CN claimed
CN-108864252-A The method for preparing NRX-1074 中国人民解放军军事科学院军事医学研究院 2018-11-23 CN claimed
CN-105859719-A Preparation method of anti-tumor active compound 华东理工大学 2016-08-17 CN claimed
CN-108864252-B Method for preparing NRX-1074 中国人民解放军军事科学院军事医学研究院 2020-07-28 CN disclosed
CN-109020977-A A kind of preparation method of Acalabrutinib 安庆奇创药业有限公司 2018-12-18 CN disclosed
CN-108864252-A The method for preparing NRX-1074 中国人民解放军军事科学院军事医学研究院 2018-11-23 CN disclosed
CN-105859719-A Preparation method of anti-tumor active compound 华东理工大学 2016-08-17 CN disclosed
CN-104607163-A Micro-chiral adjusting cellulose chromatography stationary phase, as well as preparation method and application thereof BEIJING SCIENCE & TECH 2015-05-13 CN disclosed