SCHEMBL14064149

SCHEMBL14064149

COC1C(CC#N)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.50
SSTR2 P30874 1/20 0.50
SSTR4 P31391 1/20 0.50
SSTR3 P32745 1/20 0.50
SSTR5 P35346 1/20 0.50
GJB2 P29033 1/20 0.48
HTR1A P08908 1/20 0.47
TACR2 P21452 3/20 0.44
NT5E P21589 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
PTPN1 P18031 6/20 0.41
CDC25B P30305 4/20 0.41
PTPN2 P17706 1/20 0.41

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
SCHEMBL259552 1.00 SSTR1 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL264459 1.00 SSTR1 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL260045 0.95 HTR1A (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL17114325 0.95 HTR1A (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL259789 0.95 HTR1A (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL260046 0.95 HTR1A (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL17114324 0.95 HTR1A (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9763007 0.86 SSTR1 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL27424638 0.85 PDE2A (0.46) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL25353926 0.83 SSTR1 (0.65) SSTR1SSTR2SSTR4SSTR3SSTR5

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
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed