SCHEMBL4602686

SCHEMBL4602686

O=C(NC1CN2CCC1CC2)c1n[nH]c2cc(OC3CCOCC3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.64
HTR3A P46098 4/20 0.64
KCNH2 Q12809 2/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
NTRK1 P04629 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL492754 1.00 CHRNA7 (0.64) CHRNA7HTR3AKCNH2HRH1CCR3
SCHEMBL491613 0.95 CHRNA7 (0.62) CHRNA7HTR3ANTRK1HTR3EHTR3B
SCHEMBL1966113 0.93 CHRNA7 (0.64) CHRNA7HTR3AKCNH2NTRK1HTR3E
SCHEMBL492223 0.93 CHRNA7 (0.64) CHRNA7HTR3AKCNH2NTRK1HTR3E
SCHEMBL492823 0.87 CHRNA7 (0.64) CHRNA7HTR3A
SCHEMBL4606106 0.87 CHRNA7 (0.64) CHRNA7HTR3A
SCHEMBL1963239 0.85 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1963670 0.85 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1964032 0.85 CHRNA7 (0.66) CHRNA7HTR3AKCNH2
SCHEMBL1966222 0.85 CHRNA7 (0.66) CHRNA7HTR3AKCNH2

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