SCHEMBL31387672

SCHEMBL31387672

CC12CC(CCC1C(=O)O)N2C(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
PDE10A Q9Y233 1/20 0.39
EPHX2 P34913 2/20 0.39
EPHX1 P07099 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL28301861 0.72 L3MBTL1 (0.53) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31415341 0.71 L3MBTL1 (0.41) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25433178 0.71 L3MBTL1 (0.43) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL26923681 0.70 L3MBTL1 (0.44) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25436435 0.70 L3MBTL1 (0.44) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL26923787 0.70 L3MBTL1 (0.44) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7479934 0.69 L3MBTL1 (0.57) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL38656968 0.69 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17986865 0.69 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30886553 0.68 L3MBTL1 (0.40) 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
CN-119137101-A Compounds, compositions, and methods 尼科治疗有限公司 2024-12-13 CN disclosed