SCHEMBL17986960

SCHEMBL17986960

CC[C@@H]1CN(C(=O)c2ccccn2)[C@@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
PDE10A Q9Y233 1/20 0.43
RIPK1 Q13546 1/20 0.42
LMNA P02545 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RBP4 P02753 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 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
SCHEMBL17986866 0.86 L3MBTL1 (0.43) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL15549030 0.82 L3MBTL1 (0.50) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17962541 0.82 L3MBTL1 (0.50) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17986802 0.82 L3MBTL1 (0.50) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25793189 0.75 L3MBTL1 (0.51) L3MBTL1LMNACYP3A4CYP2C9ALDH1A1
SCHEMBL26790644 0.73 L3MBTL1 (0.61) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3168186 0.71 DGAT1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2EPHX2
SCHEMBL3168169 0.71 DGAT1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2EPHX2
SCHEMBL7479934 0.71 L3MBTL1 (0.57) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17986804 0.71 L3MBTL1 (0.47) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016119707-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LIMITED (CN) 2016-08-04 WO disclosed