SCHEMBL1969044

SCHEMBL1969044

O=C(NC1CN2CCC1CC2)c1n[nH]c2ccc(N3CCCC3)cc12

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.71
HTR3A P46098 3/20 0.71
DYRK1A Q13627 8/20 0.55
WNT1 P04628 7/20 0.55
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GSK3B P49841 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 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
SCHEMBL2789474 1.00 CHRNA7 (0.71) CHRNA7HTR3ADYRK1AWNT1NPC1
SCHEMBL1969039 1.00 CHRNA7 (0.71) CHRNA7HTR3ADYRK1AWNT1NPC1
SCHEMBL1963817 0.99 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1NPC1
SCHEMBL1967973 0.93 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1NPC1
SCHEMBL2790325 0.93 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1NPC1
SCHEMBL5993992 0.93 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1NPC1
SCHEMBL12044554 0.92 CHRNA7 (0.69) CHRNA7HTR3ADYRK1AWNT1NPC1
SCHEMBL2787070 0.92 CHRNA7 (0.69) CHRNA7HTR3ADYRK1AWNT1NPC1
SCHEMBL1964731 0.89 CHRNA7 (0.67) CHRNA7HTR3ADYRK1AWNT1GSK3B
Trifluoroacetic Acid SCHEMBL2788134 0.87 CHRNA7 (0.62) CHRNA7HTR3ADYRK1AWNT1NPC1

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 1 patent. 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