SCHEMBL5997277

SCHEMBL5997277

O=C(NC1CN2CCC1CC2)c1nn(C(=O)C2CC2)c2ccc(NC(=O)C3CC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.45
HTR3A P46098 3/20 0.45
ELANE P08246 4/20 0.45
F2 P00734 1/20 0.45
CTRB1 P17538 1/20 0.45
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1964696 1.00 CHRNA7 (0.45) CHRNA7HTR3AELANEF2CTRB1
SCHEMBL2789466 0.84 CHRNA7 (0.43) CHRNA7HTR3AELANEF2CTRB1
SCHEMBL1964775 0.83 HTR3A (0.42) CHRNA7HTR3AELANEF2CTRB1
SCHEMBL1964772 0.83 HTR3A (0.42) CHRNA7HTR3AELANEF2CTRB1
SCHEMBL492142 0.82 HTR3A (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL492574 0.81 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1963562 0.79 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL492429 0.79 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1964592 0.79 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1964336 0.79 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D

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