SCHEMBL4750047

SCHEMBL4750047

CN1CCC(Oc2cccc3c2C[C@H](N)CO3)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
SRC P12931 4/20 0.38
KDR P35968 2/20 0.38
HRH1 P35367 1/20 0.37
TIPARP Q7Z3E1 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL4747586 0.94 NOS3 (0.40) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL4746896 0.88 PDGFRB (0.39) KDRHTR1ADRD2DRD1HTR1B
Ammonia Solution, Strong SCHEMBL4750926 0.87 PDGFRB (0.38) KDRHTR1ADRD2DRD1HTR1B
SCHEMBL4786874 0.78 DRD2 (0.52) SMN1; SMN2KDM4ENPY1RNPY2RTIPARP
SCHEMBL4747507 0.78 HTR6 (0.40) HTR1ADRD2HTR2A
SCHEMBL4747580 0.78 POLB (0.37) HRH1
SCHEMBL4839911 0.77 DRD2 (0.54) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL873501 0.77 DRD2 (0.54) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL873500 0.77 DRD2 (0.54) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL14157832 0.77 DRD2 (0.54) HTR1ADRD2DRD1HTR1BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed