SCHEMBL5402777

SCHEMBL5402777

O=C(N[C@@H]1CN2CCC1CC2)c1snc2cc(OCC3CC3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.45
HTR3A P46098 3/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 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
SCHEMBL5402227 1.00 CHRNA7 (0.45) CHRNA7HTR3AALDH1A1HTR3EHTR3B
SCHEMBL5403686 0.90 HTR3A (0.50) CHRNA7HTR3AALDH1A1HTR3EHTR3B
SCHEMBL1963138 0.90 HTR3A (0.50) CHRNA7HTR3AALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL4604601 0.86 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5398640 0.85 PDE3B (0.44) CHRNA7HTR3APDE3BPDE3A
SCHEMBL5397334 0.84 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5398643 0.84 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL492522 0.83 CHRNA7 (0.47) CHRNA7HTR3AALDH1A1HTR3EHTR3B
SCHEMBL1963484 0.83 CHRNA7 (0.47) CHRNA7HTR3AALDH1A1HTR3EHTR3B
SCHEMBL5400195 0.83 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D

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