SCHEMBL1969005

SCHEMBL1969005

CCc1cccc(CCNC(=O)Nc2ccc3c(C(=O)N[C@@H]4CN5CCC4CC5)nsc3c2)c1CC

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.52
CHRNA7 P36544 9/20 0.42
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL12044749 0.87 HTR3A (0.53) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL1966800 0.87 HTR3A (0.53) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL1963584 0.87 HTR3A (0.54) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL1964599 0.85 HTR3A (0.56) HTR3ACHRNA7
SCHEMBL1964306 0.84 HTR3A (0.59) HTR3ACHRNA7
SCHEMBL1963582 0.83 HTR3A (0.59) HTR3ACHRNA7
SCHEMBL12044741 0.81 MAPT (0.54) HTR3ACHRNA7
SCHEMBL12339954 0.80 CHRNA7 (0.51) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL1963490 0.80 HTR3A (0.49) HTR3ACHRNA7
SCHEMBL12044747 0.80 HTR3A (0.49) HTR3ACHRNA7

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
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed