SCHEMBL3582587

SCHEMBL3582587

O=C(c1cc(Br)sn1)N1CCN2CCC1CC2.O=C(c1ccsn1)N1CCN2CCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.40
CHRNA3 P32297 4/20 0.38
HTR3A P46098 1/20 0.36
UGCG Q16739 1/20 0.35

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
SCHEMBL3515833 0.91 CHRNA7 (0.44) CHRNA7CHRNA3HTR3AUGCG
SCHEMBL3530397 0.88 CHRNA7 (0.49) CHRNA7CHRNA3HTR3A
SCHEMBL373757 0.67 HPGD (0.53) CHRNA7CHRNA3HTR3A
SCHEMBL1572751 0.67 CHRNA7 (0.45) CHRNA7CHRNA3HTR3AUGCG
SCHEMBL3518791 0.65 CHRNA7 (0.39) CHRNA7CHRNA3HTR3AUGCG
SCHEMBL4702484 0.65 CHRNA7 (0.48) CHRNA7CHRNA3HTR3A
SCHEMBL3518276 0.65 CHRNA7 (0.49) CHRNA7CHRNA3HTR3A
SCHEMBL3984845 0.65 L3MBTL1 (0.55) CHRNA7CHRNA3HTR3A
SCHEMBL3518019 0.64 SCD5 (0.62)
SCHEMBL4032087 0.64 L3MBTL3 (0.58) CHRNA7CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212321-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE Memory Pharmaceuticals Corporation (US) 2010-08-04 EP claimed
WO-2009055437-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARMACEUTICALS CORPORATION (US) 2009-04-30 WO claimed