SCHEMBL21162243

SCHEMBL21162243

CC/C=C\CC(C)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP19A1 P11511 1/20 0.38
GAA P10253 1/20 0.37
TBXAS1 P24557 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2742862 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL21162240 0.80 SMN1; SMN2 (0.39) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL7043773 0.79 CFTR (0.44) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL27745528 0.79 CFTR (0.44) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL22113733 0.78 NPC1 (0.53) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL14233502 0.78 NPC1 (0.53) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL1245510 0.78 NPC1 (0.53) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL10644871 0.78 TAAR1 (0.48) LMNA
SCHEMBL10644867 0.78 TAAR1 (0.48) LMNA
SCHEMBL28744344 0.78 SMN1; SMN2 (0.43) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898607-B1 3-(1,2,3,6-TETRAHYDROPYRIDIN-2-YL)PYRIDINE GLUTARATE OR A PHARMACEUTICALLY ACCEPTABLE SOLVATE THEREOF PHILIP MORRIS PRODUCTS SA (CH) 2023-10-18 EP disclosed
US-20190203218-A1 METHOD NORTH CAROLINA STATE UNIVERSITY 2019-07-04 US disclosed