SCHEMBL5986089

SCHEMBL5986089

O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2ccc(CCN3CCC(OCc4ccccc4)C3)cc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.58
HTR3A P46098 1/20 0.58
GSK3B P49841 12/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
DYRK1A Q13627 4/20 0.44
CDK2 P24941 1/20 0.44
CDK16 Q00536 1/20 0.44
WNT1 P04628 1/20 0.43

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
SCHEMBL1964809 0.86 CHRNA7 (0.62) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL1964044 0.81 CHRNA7 (0.67) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL2791404 0.80 CHRNA7 (0.61) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL1964726 0.80 CHRNA7 (0.67) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL1967272 0.80 CHRNA7 (0.72) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL12315166 0.79 CHRNA7 (0.64) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL1965456 0.78 CHRNA7 (0.65) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL1963671 0.78 CHRNA7 (0.70) CHRNA7HTR3AGSK3BDYRK1AWNT1
Formic Acid SCHEMBL1967216 0.78 CHRNA7 (0.57) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL2788242 0.77 CHRNA7 (0.66) CHRNA7HTR3AGSK3BDYRK1AWNT1

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