SCHEMBL27995447

SCHEMBL27995447

O=CC(C[N+](=O)[O-])c1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SERPINH1 P50454 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL28803843 0.82 SERPINH1 (0.31) SERPINH1
SCHEMBL17465534 0.78 CES2 (0.45) CNR1ATMTDP1SERPINH1CES2
SCHEMBL18925501 0.78 PSEN1 (0.44) CNR1ATMTDP1SERPINH1CES2
SCHEMBL826770 0.78 CES2 (0.45) CNR1ATMTDP1SERPINH1CES2
SCHEMBL2337689 0.76 ATM (0.42) CNR1ATMTDP1CES2CES1
SCHEMBL27995445 0.75 CES2 (0.43) CNR1ATMTDP1SERPINH1CES2
SCHEMBL28038735 0.70 CES2 (0.35) CES2CES1PSEN1PSEN2APH1B
SCHEMBL28136400 0.68 ATM (0.44) CNR1ATMTDP1CES2CES1
SCHEMBL121043 0.68 PSEN1 (0.40) CNR1CES2CES1PSEN1PSEN2
SCHEMBL1444104 0.68 PSEN1 (0.45) CNR1ATMTDP1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106543189-A A kind of dipeptidyl peptidase-iv inhibitor 成都硕鼎科技有限公司 2017-03-29 CN disclosed
CN-106543187-A A kind of amino tetrahydro pyran derivative 成都贝斯凯瑞生物科技有限公司 2017-03-29 CN disclosed
CN-106543188-A A kind of amino tetrahydro pyran derivant and its purposes in medicine 成都融科博海科技有限公司 2017-03-29 CN disclosed
CN-105622612-A Aminotetrahydropyran derivative used as dipeptidyl peptidase-IV inhibitor CHENGDU BESS CARREY BIOTECHNOLOGY CO LTD 2016-06-01 CN disclosed
CN-105085528-A Aminotetrahydropyran derivative as dipeptidyl peptidase-IV inhibitor CHENGDU BEISIKAIRUI BIOTECHNOLOGY CO LTD 2015-11-25 CN disclosed
CN-102272136-B Aminotetrahydropyrans as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME 2015-01-14 CN disclosed