SCHEMBL5404456

SCHEMBL5404456

O=C(N[C@@H]1CN2CCC1CC2)c1onc2cc(Br)ccc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.51
HTR3A P46098 3/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46

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
SCHEMBL5399947 0.91 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5985433 0.87 CHRNA7 (0.56) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5399871 0.85 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5407432 0.85 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL492389 0.83 CHRNA7 (0.51) CHRNA7HTR3A
SCHEMBL1963588 0.80 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6170192 0.80 TRPV1 (0.46)
SCHEMBL5984499 0.78 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6634376 0.76 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL260351 0.76 CHRNA7 (0.74) CHRNA7HTR3A

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 5 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
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