SCHEMBL9258648

SCHEMBL9258648

Oc1ccc2c3c([nH]c2c1)C(=S)C(CC1CCN(Cc2ccccc2)CC1)C3

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN1 Q05586 1/20 0.46
BCHE P06276 3/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.41

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
SCHEMBL9255338 0.92 ACHE (0.49) ACHEGRIN2BGRIN1BCHEMAOA
SCHEMBL9259960 0.88 BCHE (0.48) ACHEBCHEMAOAMAOB
SCHEMBL9264044 0.86 ACHE (0.51) ACHEBCHEMAOAMAOB
SCHEMBL9255390 0.85 BCHE (0.43) ACHEBCHEMAOBHTR2A
SCHEMBL9260426 0.80 ACHE (0.54) ACHEBCHEMAOAMAOB
SCHEMBL9260674 0.80 ACHE (0.53) ACHEBCHEMAOAMAOB
SCHEMBL9264663 0.77 BCHE (0.53) ACHEBCHEMAOAMAOB
SCHEMBL9255264 0.76 BCHE (0.50) ACHEBCHEMAOB
SCHEMBL9261356 0.76 ACHE (0.55) ACHEBCHEMAOBHTR2A
SCHEMBL9261129 0.74 ACHE (0.55) ACHEBCHEMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US claimed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP claimed
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed