SCHEMBL28017241

SCHEMBL28017241

CC(C)(OC(=O)NN)C(N)CCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.43
POLB P06746 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
NAAA Q02083 2/20 0.41
CTSK P43235 2/20 0.40
CTSS P25774 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL28267573 0.77 NAAA (0.57) POLBNAAAFAAH
SCHEMBL12831184 0.74 CTSK (0.55) GRIK1POLBCTSK
SCHEMBL15989178 0.73 LTA4H (0.52) GRIK1POLBS1PR2S1PR4S1PR1
SCHEMBL6683703 0.72 GRIK1 (0.52) GRIK1
SCHEMBL2523775 0.71 LTA4H (0.50) GRIK1S1PR2S1PR4S1PR1S1PR3
SCHEMBL27843634 0.70 CTSK (0.53) CTSK
SCHEMBL2856837 0.70 CTSK (0.61) CTSKCTSS
SCHEMBL28091153 0.70 CTSK (0.46) POLBCTSKCTSS
SCHEMBL27962221 0.70 CTSK (0.54) CTSKCTSS
SCHEMBL2856841 0.70 CTSK (0.61) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997421-A A kind of antiviral drugs and its pharmaceutical composition 成都创谱生物科技有限公司 2018-12-14 CN claimed
CN-105669749-B Antiviral drugs and composition 赫斯(西安)生物科技有限公司 2018-03-30 CN claimed
CN-105884826-B Antiviral drugs 赫斯(西安)生物科技有限公司 2018-01-19 CN claimed
CN-105884826-A Antiviral medicine 赫斯(西安)生物科技有限公司 2016-08-24 CN claimed
CN-105669749-A Antiviral drug and composition 赫斯(西安)生物科技有限公司 2016-06-15 CN claimed
CN-104628771-B Antiviral medicine and its medicinal composition HESI (XI'AN) BIOTECHNOLOGY CO.,LTD. (CN) 2016-05-11 CN claimed
CN-104628771-A Antiviral medicine and its medicinal composition HESI XI AN BIOTECHNOLOGY CO LTD 2015-05-20 CN claimed
CN-108997421-A A kind of antiviral drugs and its pharmaceutical composition 成都创谱生物科技有限公司 2018-12-14 CN disclosed
CN-105669749-B Antiviral drugs and composition 赫斯(西安)生物科技有限公司 2018-03-30 CN disclosed
CN-105884826-B Antiviral drugs 赫斯(西安)生物科技有限公司 2018-01-19 CN disclosed
CN-105884826-A Antiviral medicine 赫斯(西安)生物科技有限公司 2016-08-24 CN disclosed
CN-105669749-A Antiviral drug and composition 赫斯(西安)生物科技有限公司 2016-06-15 CN disclosed
CN-104628771-B Antiviral medicine and its medicinal composition HESI (XI'AN) BIOTECHNOLOGY CO.,LTD. (CN) 2016-05-11 CN disclosed
CN-104628771-A Antiviral medicine and its medicinal composition HESI XI AN BIOTECHNOLOGY CO LTD 2015-05-20 CN disclosed