SCHEMBL5995368

SCHEMBL5995368

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.67
HTR3A P46098 3/20 0.67
DYRK1A Q13627 13/20 0.49
GSK3B P49841 10/20 0.49
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
WNT1 P04628 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44

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
SCHEMBL1965364 1.00 CHRNA7 (0.67) CHRNA7HTR3ADYRK1AGSK3BCLK2
SCHEMBL1963569 1.00 CHRNA7 (0.67) CHRNA7HTR3ADYRK1AGSK3BCLK2
SCHEMBL1966630 0.92 CHRNA7 (0.67) CHRNA7HTR3ADYRK1AGSK3BHTR3E
SCHEMBL1966979 0.92 CHRNA7 (0.67) CHRNA7HTR3ADYRK1AGSK3BHTR3E
SCHEMBL29749352 0.89 CHRNA7 (0.66) CHRNA7HTR3ADYRK1AGSK3BWNT1
SCHEMBL1458602 0.89 CHRNA7 (0.66) CHRNA7HTR3ADYRK1AGSK3BWNT1
SCHEMBL1459354 0.89 CHRNA7 (0.66) CHRNA7HTR3ADYRK1AGSK3BWNT1
SCHEMBL1459315 0.89 CHRNA7 (0.66) CHRNA7HTR3ADYRK1AGSK3BWNT1
Hydrochloric Acid SCHEMBL14797270 0.89 CHRNA7 (0.65) CHRNA7HTR3ADYRK1AGSK3BWNT1
Hydrochloric Acid SCHEMBL1966489 0.89 CHRNA7 (0.65) CHRNA7HTR3ADYRK1AGSK3BWNT1

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