SCHEMBL28678656

SCHEMBL28678656

CCC[C@@H]1CC(=O)N(C(CC)CN)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
LMNA P02545 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL21881956 0.79 TSHR (0.45) BRD4NOS3NOS1NOS2
SCHEMBL21881994 0.79 TSHR (0.45) BRD4NOS3NOS1NOS2
SCHEMBL10491077 0.78 MAPT (0.49) BRD4LMNA
Brivaracetam SCHEMBL2408675 0.77 CA1 (0.49) BRD4NOS3NOS1NOS2LMNA
Brivaracetam SCHEMBL563380 0.77 CA1 (0.49) BRD4NOS3NOS1NOS2LMNA
Brivaracetam SCHEMBL122081 0.77 CA1 (0.49) BRD4NOS3NOS1NOS2LMNA
Brivaracetam SCHEMBL22446812 0.77 CA1 (0.49) BRD4NOS3NOS1NOS2LMNA
Brivaracetam SCHEMBL564055 0.77 CA1 (0.49) BRD4NOS3NOS1NOS2LMNA
Brivaracetam SCHEMBL563970 0.77 CA1 (0.49) BRD4NOS3NOS1NOS2LMNA
Brivaracetam SCHEMBL563666 0.77 CA1 (0.49) BRD4NOS3NOS1NOS2LMNA

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-113908153-A Buvalracetam pharmaceutical composition, preparation method and application thereof 上海博志研新药物技术有限公司 2022-01-11 CN disclosed