SCHEMBL28158154

SCHEMBL28158154

C[C](C)CN1CC(=CC#N)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.33

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
SCHEMBL28153950 0.82 DRD3 (0.37) DRD3
SCHEMBL21341346 0.76
SCHEMBL18975892 0.70
SCHEMBL24943290 0.67 DRD3 (0.32) DRD3
SCHEMBL18975587 0.67 ALDH1A1 (0.36) DRD3
SCHEMBL18975737 0.67 DRD3 (0.33) DRD3
SCHEMBL28176949 0.66
SCHEMBL9921782 0.66
SCHEMBL23343604 0.64 GRM5 (0.51)
SCHEMBL18975875 0.64 DRD3 (0.35) DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107176955-A A kind of Ba Rui replaces the preparation method of Buddhist nun 南京优科制药有限公司 2017-09-19 CN claimed
CN-107176955-B A kind of Ba Rui replaces the preparation method of Buddhist nun 南京优科制药有限公司 2019-04-09 CN disclosed
CN-108586465-A A kind of Ba Rui replaces the preparation method of Buddhist nun 江苏中邦制药有限公司 2018-09-28 CN disclosed
CN-108341820-A JAK enzyme inhibitors and its preparation method and application 上海长森药业有限公司 2018-07-31 CN disclosed
CN-108129482-A A kind of Ba Rui replaces the preparation method of Buddhist nun 江苏中邦制药有限公司 2018-06-08 CN disclosed
CN-107698569-A Connection pyrazole derivatives as JAK inhibitor 因赛特公司 2018-02-16 CN disclosed
CN-105189509-B For preparing the method and intermediate of JAK inhibitor 因赛特公司 2017-12-19 CN disclosed
CN-105452239-B Bipyrazole derivatives as JAK inhibitors 因赛特公司 2017-11-21 CN disclosed
CN-107176955-A A kind of Ba Rui replaces the preparation method of Buddhist nun 南京优科制药有限公司 2017-09-19 CN disclosed
CN-105189498-B Geminally substituted cyanoethylpyrazolopyridinones as JANUS kinase inhibitors 默沙东公司 2017-06-27 CN disclosed