SCHEMBL26772785

SCHEMBL26772785

OCCC[C@@H](O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
TBXAS1 P24557 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
CYP17A1 P05093 1/20 0.44
TSHR P16473 1/20 0.44
KCNA5 P22460 3/20 0.41
KCNH2 Q12809 2/20 0.41
IDO1 P14902 1/20 0.41
CYP19A1 P11511 1/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL26772791 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2577931 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2573660 0.95 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4125276 0.91 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL24919476 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28924924 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28924921 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL30273373 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28639757 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL25005917 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4140992-B1 METHOD FOR PREPARING S-NICOTINE SHENZHEN ZINWI BIO TECH CO LTD (CN) 2024-10-16 EP disclosed
EP-4144727-B1 METHOD FOR PREPARING CHIRAL SYNTHETIC NICOTINE SHENZHEN ZINWI BIO TECH CO LTD (CN) 2024-10-09 EP disclosed
EP-4144726-B1 PREPARATION METHOD FOR SYNTHESIZING S-NICOTINE FROM GLUTARIC ACID ESTER SHENZHEN ZINWI BIO TECH CO LTD (CN) 2024-10-02 EP disclosed
WO-2023206665-A1 PROCESS FOR UNPROTECTED ASYMMETRIC PREPARATION OF NICOTINE 凯特立斯(深圳)科技有限公司 2023-11-02 WO disclosed