SCHEMBL5995592

SCHEMBL5995592

O=C(NC1CN2CCC1CC2)c1n[nH]c2cc(-c3ncco3)ccc12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.63
HTR3A P46098 7/20 0.63
HTR3E A5X5Y0 4/20 0.45
HTR3B O95264 4/20 0.45
HTR3D Q70Z44 4/20 0.45
HTR3C Q8WXA8 4/20 0.45
CYP2D6 P10635 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL1963436 1.00 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL492293 1.00 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1965434 0.93 HTR3A (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1964858 0.93 HTR3A (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL260374 0.83 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL260057 0.83 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL261182 0.83 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL2454962 0.83 CHRNA7 (0.77) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL261646 0.83 CHRNA7 (0.77) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL261083 0.83 CHRNA7 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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