SCHEMBL4758049

SCHEMBL4758049

Fc1ccc(CN2CC3CC3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
BACE1 P56817 2/20 0.48
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
S1PR5 Q9H228 1/20 0.47
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8327714 0.89 BCHE (0.43) BCHEACHEBACE1HRH4HRH3
SCHEMBL8321870 0.89 S1PR5 (0.46) BCHEACHEBACE1HRH4HRH3
SCHEMBL26252666 0.83 BCHE (0.44) BCHEACHEBACE1HRH4HRH3
SCHEMBL25389568 0.83 BCHE (0.44) BCHEACHEBACE1S1PR5DRD2
SCHEMBL26252672 0.83 BCHE (0.44) BCHEACHEBACE1HRH4HRH3
SCHEMBL22731735 0.82 ALDH1A1 (0.53) BCHEACHEBACE1HRH4HRH3
SCHEMBL8327594 0.80 S1PR5 (0.47) BCHEACHEBACE1HRH4HRH3
SCHEMBL2917086 0.80 S1PR5 (0.54) BCHEACHEBACE1HRH3S1PR5
SCHEMBL2922811 0.80 S1PR5 (0.50) S1PR5MAPT
SCHEMBL22731741 0.79 KDM4E (0.59) BCHEACHEBACE1S1PR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO claimed
EP-3746421-B1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2023-11-29 EP disclosed
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO disclosed