SCHEMBL10244515

SCHEMBL10244515

CCCSc1nc(N(Cc2ccccc2)C2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)C(O)C3O)c2n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.67
▸ PGR P06401 1/20 0.67
▸ ADORA3 P0DMS8 1/20 0.67
▸ CHRM1 P11229 1/20 0.67
▸ DRD1 P21728 1/20 0.67
▸ TBXA2R P21731 1/20 0.67
▸ PTGS1 P23219 1/20 0.67
▸ SLC6A2 P23975 1/20 0.67
▸ FPR3 P25089 1/20 0.67
▸ PDE4A P27815 1/20 0.67
▸ GPR183 P32249 1/20 0.67
▸ DRD3 P35462 1/20 0.67
▸ SLC6A3 Q01959 1/20 0.67
▸ KCNH2 Q12809 1/20 0.67
▸ PDE3A Q14432 1/20 0.67
▸ TMEM97 Q5BJF2 1/20 0.67
▸ SLC29A1 Q99808 1/20 0.67
▸ P2RY13 Q9BPV8 1/20 0.67
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL16338864 0.90 P2RY12 (0.71) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL10244338 0.90 P2RY12 (0.54) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL17209342 0.90 P2RY12 (0.54) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16378885 0.89 P2RY12 (0.73) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16337898 0.85 P2RY12 (0.67) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL6753592 0.82 P2RY12 (0.70) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL24418222 0.81 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL17679477 0.81 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL20866157 0.81 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL22375060 0.81 P2RY12 (1.00) 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
WO-2012085665-A2 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF ACTAVIS GROUP PATC EHF (IS) 2012-06-28 — — WO disclosed
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