SCHEMBL5485995

SCHEMBL5485995

O=C(NC1CN2CCC1CC2)c1n[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.69
HTR3A P46098 3/20 0.69
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
CSNK2A1 P68400 1/20 0.48
GSK3B P49841 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
WNT1 P04628 1/20 0.43
DYRK1A Q13627 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 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
SCHEMBL1965162 1.00 CHRNA7 (0.69) CHRNA7HTR3AALDH1A1POLBCSNK2A1
SCHEMBL1963506 1.00 CHRNA7 (0.69) CHRNA7HTR3AALDH1A1POLBCSNK2A1
SCHEMBL1963389 0.92 CHRNA7 (0.69) CHRNA7HTR3AALDH1A1POLBGSK3B
SCHEMBL1965460 0.84 CHRNA7 (0.76) CHRNA7HTR3AWNT1DYRK1AHTR3E
SCHEMBL1964878 0.84 CHRNA7 (0.76) CHRNA7HTR3AWNT1DYRK1AHTR3E
SCHEMBL1963740 0.84 CHRNA7 (0.76) CHRNA7HTR3AWNT1DYRK1AHTR3E
SCHEMBL1966879 0.84 CHRNA7 (0.76) CHRNA7HTR3AWNT1DYRK1AHTR3E
SCHEMBL5996566 0.84 CHRNA7 (0.76) CHRNA7HTR3AWNT1DYRK1AHTR3E
SCHEMBL260705 0.83 CHRNA7 (0.74) CHRNA7HTR3AGSK3BWNT1DYRK1A
SCHEMBL1963578 0.83 CHRNA7 (0.74) CHRNA7HTR3AWNT1DYRK1A

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
JP-2007530590-A 2007-11-01 JP claimed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP claimed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO claimed