SCHEMBL16800331

SCHEMBL16800331

CCCSc1nc(Cl)c2nnn([C@@H]3C[C@H](OCC)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.54
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
FPR3 P25089 1/20 0.51
PDE4A P27815 1/20 0.51
GPR183 P32249 1/20 0.51
DRD3 P35462 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
PDE3A Q14432 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SLC29A1 Q99808 1/20 0.51
P2RY13 Q9BPV8 1/20 0.51

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
SCHEMBL16800309 0.93 P2RY12 (0.57) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15859674 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15846303 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15859666 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16800343 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15859655 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15048854 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16770199 0.89 P2RY12 (0.54) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16770200 0.89 P2RY12 (0.54) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL17803756 0.89 P2RY12 (0.52) P2RY12PGRADORA3CHRM1DRD1

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-9056838-B2 Intermediates and processes for preparing Ticagrelor TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2015-06-16 US disclosed