SCHEMBL4620001

SCHEMBL4620001

O=C(NC1CN2CCC1CC2)c1n[nH]c2ccc(Br)c(O)c12

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.63
HTR3A P46098 2/20 0.63
BDKRB1 P46663 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45

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
SCHEMBL491922 1.00 CHRNA7 (0.63) CHRNA7HTR3ABDKRB1HTR3EHTR3B
SCHEMBL12338014 0.88 CHRNA7 (0.61) CHRNA7HTR3ABDKRB1HTR3EHTR3B
SCHEMBL5996761 0.85 CHRNA7 (0.58) CHRNA7HTR3ABDKRB1HTR3EHTR3B
SCHEMBL1964371 0.85 CHRNA7 (0.58) CHRNA7HTR3ABDKRB1HTR3EHTR3B
SCHEMBL1962888 0.84 HTR3A (0.59) CHRNA7HTR3ABDKRB1HTR3EHTR3B
SCHEMBL1965726 0.84 HTR3A (0.59) CHRNA7HTR3ABDKRB1HTR3EHTR3B
SCHEMBL492110 0.83 CHRNA7 (0.54) CHRNA7HTR3ABDKRB1HTR3EHTR3B
SCHEMBL492614 0.83 CHRNA7 (0.72) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL4602656 0.83 CHRNA7 (0.72) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL260705 0.80 CHRNA7 (0.74) 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-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO disclosed