Sugi Predict

Sugi Predict / Compounds / SCHEMBL28924924

SCHEMBL28924924

SCHEMBL28924924

NCCCC(O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP2A6 P11509 1/20 0.49
▸ HRH1 P35367 3/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ TBXAS1 P24557 1/20 0.44
▸ CFTR P13569 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ GOPC Q9HD26 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CHRNA7 P36544 1/20 0.43
▸ GRM8 O00222 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 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
SCHEMBL28924921 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP2A6HRH1HTR2ATBXAS1
SCHEMBL24919476 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP2A6HRH1HTR2ATBXAS1
SCHEMBL30065165 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP2A6HRH1HTR2ATBXAS1
SCHEMBL6074158 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1609153 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6074090 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2577931 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TBXAS1CFTRSLC6A2SLC6A4
SCHEMBL26772785 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TBXAS1CFTRSLC6A2SLC6A4
SCHEMBL26772791 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TBXAS1CFTRSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6285618 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CYP2A6CFTRSLC6A2SLC6A4

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-113387925-B Preparation method for synthesizing S-nicotine from glutarate 深圳市真味生物科技有限公司 2023-03-28 — — CN claimed
CN-113475739-B Preparation method of S-nicotine 深圳市真味生物科技有限公司 2022-11-11 — — CN claimed
CN-113475739-A Preparation method of S-nicotine 深圳市真味生物科技有限公司 2021-10-08 — — CN claimed
CN-113387925-A Preparation method for synthesizing S-nicotine from glutarate 深圳市真味生物科技有限公司 2021-09-14 — — CN claimed
CN-113582972-B Method for synthesizing chiral nicotine from butyrolactone 深圳市真味生物科技有限公司 2023-03-28 — — CN disclosed
CN-113387925-B Preparation method for synthesizing S-nicotine from glutarate 深圳市真味生物科技有限公司 2023-03-28 — — CN disclosed
CN-113387925-B Preparation method for synthesizing S-nicotine from glutarate 深圳市真味生物科技有限公司 2023-03-28 — — CN disclosed
CN-113475739-B Preparation method of S-nicotine 深圳市真味生物科技有限公司 2022-11-11 — — CN disclosed
CN-113475739-B Preparation method of S-nicotine 深圳市真味生物科技有限公司 2022-11-11 — — CN disclosed
CN-113582972-A Method for synthesizing chiral nicotine from butyrolactone 深圳市真味生物科技有限公司 2021-11-02 — — CN disclosed
CN-113475739-A Preparation method of S-nicotine 深圳市真味生物科技有限公司 2021-10-08 — — CN disclosed
CN-113475739-A Preparation method of S-nicotine 深圳市真味生物科技有限公司 2021-10-08 — — CN disclosed
CN-113387925-A Preparation method for synthesizing S-nicotine from glutarate 深圳市真味生物科技有限公司 2021-09-14 — — CN disclosed
CN-113387925-A Preparation method for synthesizing S-nicotine from glutarate 深圳市真味生物科技有限公司 2021-09-14 — — CN disclosed