SCHEMBL5370748

SCHEMBL5370748

COn1nc(C(=O)O[C@@H]2CN3CCC2CC3)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.51
HTR3E A5X5Y0 2/20 0.51
HTR3B O95264 2/20 0.51
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
HTR3A P46098 2/20 0.51
HTR3D Q70Z44 2/20 0.51
HTR3C Q8WXA8 2/20 0.51
TSHR P16473 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CHRM2 P08172 4/20 0.47
CHRM1 P11229 4/20 0.47
CHRM3 P20309 4/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
GLA P06280 1/20 0.47
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CYP2D6 P10635 1/20 0.45

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
Benzoclidine SCHEMBL1542430 0.72 GLA (0.74) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
Benzoclidine SCHEMBL1542330 0.72 GLA (0.74) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
Benzoclidine SCHEMBL342347 0.72 GLA (0.74) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL1969701 0.72 ELANE (0.49) TSHRCYP2D6
SCHEMBL2853822 0.70 CHRNA7 (0.47) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL2853826 0.70 CHRNA7 (0.47) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL7309440 0.70 CHRNA7 (0.47) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL8935124 0.69 CHRNA7 (0.60) CHRNA7HTR3EHTR3BCHRNB2CHRNA4
SCHEMBL4433081 0.68 KDM4E (0.50) HTR3EHTR3BCHRNB2CHRNA4HTR3A
SCHEMBL7306336 0.68 CHRNA7 (0.50) CHRNA7HTR3EHTR3BCHRNB2CHRNA4

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-1828179-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF Memory Pharmaceutical Corporation (US) 2007-09-05 EP disclosed
WO-2006069097-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2006-06-29 WO disclosed