SCHEMBL4605433

SCHEMBL4605433

O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2cc(C(F)(F)NC(=O)C3CC3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.62
HTR3A P46098 3/20 0.62
CSNK2A1 P68400 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL1964278 0.88 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL1966249 0.88 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL5997360 0.88 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL3328476 0.87 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL1964046 0.85 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL1966241 0.81 CHRNA7 (0.74) CHRNA7HTR3A
SCHEMBL1966557 0.81 CHRNA7 (0.74) CHRNA7HTR3A
SCHEMBL12582557 0.81 CHRNA7 (0.74) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL1964984 0.81 CHRNA7 (0.74) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL4603840 0.81 CHRNA7 (0.65) CHRNA7HTR3ACSNK2A1HTR3EHTR3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP claimed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO claimed
EP-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO disclosed