SCHEMBL7762850

SCHEMBL7762850

CC(C)(C)C(=O)C(N)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KCNA5 P22460 1/20 0.43
LMNA P02545 2/20 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
POLB P06746 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL19319049 0.82 TBXAS1 (0.50) GRM8GRM4SMN1; SMN2KCNA5LMNA
SCHEMBL14664123 0.81 SMN1; SMN2 (0.49) GRM8GRM4SMN1; SMN2LMNAL3MBTL1
SCHEMBL11487828 0.80 SMN1; SMN2 (0.50) GRM8GRM4SMN1; SMN2KCNA5LMNA
SCHEMBL11148954 0.80 SMN1; SMN2 (0.43) SMN1; SMN2LMNAL3MBTL1CFTRSLC6A2
SCHEMBL5966871 0.80 RAB9A (0.43) SMN1; SMN2KCNA5LMNAL3MBTL1CFTR
SCHEMBL17308611 0.79 SMN1; SMN2 (0.53) GRM8GRM4SMN1; SMN2KCNA5CFTR
SCHEMBL2628037 0.79 SMN1; SMN2 (0.53) GRM8GRM4SMN1; SMN2KCNA5CFTR
SCHEMBL1354541 0.79 F7 (0.50) GRM8GRM4SMN1; SMN2KCNA5LMNA
SCHEMBL11088662 0.79 SMN1; SMN2 (0.53) GRM8GRM4SMN1; SMN2KCNA5CFTR
SCHEMBL1354543 0.79 F7 (0.50) GRM8GRM4SMN1; SMN2KCNA5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791583-B1 PROCESS FOR PRODUCING 3-(AMINOMETHYL)-6-CHLOROPYRIDINES NIPPON SODA CO (JP) 2001-04-18 EP disclosed
US-5744608-A REACTING A 3-(SUBSTITUTED-AMINOMETHYL)PYRIDINE N-OXIDE WITH A TERTIARY AMINE IN THE PRESENCE OF AN ELECTROPHILIC REAGENT HAVING AT LEAST ONE CHLORINE ATOM FOLLOWED BY REACTION WITH HYDROGEN CHLORIDE AND WATER NIPPON SODA CO., LTD. (JP) 1998-04-28 US disclosed
EP-0791583-A1 PROCESS FOR PRODUCING 3-(AMINOMETHYL)-6-CHLOROPYRIDINES NIPPON SODA CO., LTD. (JP) 1997-08-27 EP disclosed