SCHEMBL5386775

SCHEMBL5386775

CCOc1ccc2c(C(=O)O[C@@H]3CN4CCC3CC4)snc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 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
SCHEMBL5267035 1.00 HTR3A (0.42) HTR3AGLAKMT2AMEN1TSHR
SCHEMBL5265205 0.90 GLA (0.45) HTR3AGLAKMT2AMEN1TSHR
SCHEMBL2853920 0.82 MAPT (0.44) HTR3AGLAKMT2AMEN1TSHR
SCHEMBL2853923 0.82 MAPT (0.44) HTR3AGLAKMT2AMEN1TSHR
SCHEMBL1963138 0.82 HTR3A (0.50) HTR3AALDH1A1HTR3EHTR3BCHRNA7
SCHEMBL5403686 0.82 HTR3A (0.50) HTR3AALDH1A1HTR3EHTR3BCHRNA7
Formic Acid SCHEMBL2861446 0.79 MAPT (0.42) HTR3AGLAKMT2AMEN1TSHR
SCHEMBL5611010 0.74 KDM4E (0.50) KMT2AMEN1TSHRALDH1A1NPC1
SCHEMBL2856071 0.73 CHRNA7 (0.44) HTR3AGLAKMT2AMEN1TSHR
SCHEMBL5402227 0.71 CHRNA7 (0.45) HTR3AALDH1A1HTR3EHTR3BCHRNA7

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