SCHEMBL8606286

SCHEMBL8606286

CC1CC(O)CC(C)N1C(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.70
CACNA1G O43497 1/20 0.53
CACNA1H O95180 1/20 0.53
CACNA1I Q9P0X4 1/20 0.53
HCRTR2 O43614 1/20 0.52
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL2389760 0.87 HTR2C (0.64) HTR2CCACNA1GCACNA1HCACNA1IHCRTR2
SCHEMBL16467962 0.86 HTR2C (0.76) HTR2CCACNA1GCACNA1HCACNA1IHCRTR2
SCHEMBL3652770 0.86 HTR2C (0.76) HTR2CCACNA1GCACNA1HCACNA1IHCRTR2
SCHEMBL31316158 0.84 HTR2C (0.72) HTR2CCACNA1GCACNA1HCACNA1IHCRTR2
SCHEMBL4052931 0.84 HTR2C (0.72) HTR2CCACNA1GCACNA1HCACNA1IHCRTR2
SCHEMBL4431805 0.84 HTR2C (0.72) HTR2CCACNA1GCACNA1HCACNA1IHCRTR2
SCHEMBL23196743 0.83 POLB (0.56) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL13928546 0.83 POLB (0.56) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL8607441 0.82 HTR2C (0.62) HTR2CCACNA1GCACNA1HCACNA1IHCRTR2
SCHEMBL29587713 0.82 HTR2C (0.59) HTR2CCACNA1GCACNA1HCACNA1IHCRTR2

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
US-5789595-A ANTICOAGULANTS TERUMO KABUSHIKI KAISHA (JP) 1998-08-04 US disclosed
EP-0790247-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1997-08-20 EP disclosed