SCHEMBL30548178

SCHEMBL30548178

[B]C12CCN(C(=O)OCc3ccccc3)CC1C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM1A O60341 2/20 0.47
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GRIN2B Q13224 4/20 0.43
HTT P42858 1/20 0.43
ENPP2 Q13822 2/20 0.43
ATXN2 Q99700 2/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL6747204 0.83 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL17105300 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL25465748 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9182823 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6745394 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6750541 0.79 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15164430 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14709610 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15153299 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6749051 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-116507326-A Compounds as GLP-1R agonists 拓臻制药公司 2023-07-28 CN disclosed