SCHEMBL4781272

SCHEMBL4781272

O=C(NC1CN2CCC1CC2)c1nn(C2CC2)c2cc([AsH]C(=O)C3CC3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.45
HTR3A P46098 4/20 0.45
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL4673311 0.88 HTR3A (0.45) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL4673307 0.88 HTR3A (0.45) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL492350 0.84 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL492574 0.84 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL492524 0.83 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL492198 0.77 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL492414 0.76 HTR3A (0.45) CHRNA7HTR3A
SCHEMBL492824 0.72 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1966087 0.72 HTR3A (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL492142 0.71 HTR3A (0.46) CHRNA7HTR3AHTR3EHTR3BALOX15

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