SCHEMBL5403686

SCHEMBL5403686

CCOc1ccc2c(C(=O)N[C@H]3CN4CCC3CC4)snc2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.50
CHRNA7 P36544 7/20 0.46
ALDH1A1 P00352 1/20 0.43
UGCG Q16739 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL1963138 1.00 HTR3A (0.50) HTR3ACHRNA7ALDH1A1UGCGHTR3E
SCHEMBL5402227 0.90 CHRNA7 (0.45) HTR3ACHRNA7ALDH1A1HTR3EHTR3B
SCHEMBL5402777 0.90 CHRNA7 (0.45) HTR3ACHRNA7ALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL4604601 0.89 CHRNA7 (0.48) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL5398640 0.87 PDE3B (0.44) HTR3ACHRNA7UGCG
SCHEMBL5398643 0.85 CHRNA7 (0.46) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL5397334 0.85 CHRNA7 (0.46) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL5407888 0.83 HTR3A (0.47) HTR3ACHRNA7
SCHEMBL1965481 0.83 HTR3A (0.50) HTR3ACHRNA7UGCG
SCHEMBL1966763 0.83 HTR3A (0.50) HTR3ACHRNA7UGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007530590-A 2007-11-01 JP claimed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP claimed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO claimed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed