SCHEMBL1970694

SCHEMBL1970694

O=C(NC1CN2CCC1CC2)c1n[nH]c2ccc(C3=CCOCC3)cc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.62
▸ HTR3A P46098 1/20 0.62
▸ GSK3B P49841 7/20 0.60
▸ DYRK1A Q13627 15/20 0.46
▸ WNT1 P04628 6/20 0.46
▸ KCNH2 Q12809 3/20 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
SCHEMBL1966154 1.00 CHRNA7 (0.62) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL1963811 1.00 CHRNA7 (0.62) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL1963432 0.93 CHRNA7 (0.62) CHRNA7HTR3AGSK3B
SCHEMBL1963273 0.93 CHRNA7 (0.62) CHRNA7HTR3AGSK3B
Hydrochloric Acid SCHEMBL1964985 0.92 CHRNA7 (0.61) CHRNA7HTR3AGSK3B
SCHEMBL1962855 0.86 CHRNA7 (0.63) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL2855652 0.83 GSK3B (0.53) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL2855656 0.83 GSK3B (0.53) CHRNA7HTR3AGSK3BDYRK1AWNT1
SCHEMBL2087133 0.82 GSK3B (0.57) GSK3BDYRK1AWNT1KCNH2
SCHEMBL260465 0.82 CHRNA7 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 — — EP disclosed
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
Send feedback