SCHEMBL2902241

SCHEMBL2902241

CC1CN(C(=O)OCc2ccccc2)C(C)(I)CN1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
CYP2C19 P33261 1/20 0.40
RORC P51449 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2905115 0.79 HTR2C (0.52) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL4058433 0.76 ALDH1A1 (0.50) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10797345 0.76 ALDH1A1 (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1188627 0.75 HTR2C (0.56) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL1188626 0.75 HTR2C (0.56) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL1188628 0.75 HTR2C (0.56) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL23124030 0.74 HTR2C (0.43) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL29849418 0.74 CHRM1 (0.60) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL30524578 0.74 CHRM1 (0.60) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL5517077 0.73 HTR2C (0.64) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2

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-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed