Ticagrelor

Ticagrelor

SCHEMBL18674056

CCCSc1nc(NC2CC2c2ccc(F)c(F)c2)c2nnn(C3CC(OCCO)C(O)[C@H]3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

P2RY12

The experimentally established mechanism targets of Ticagrelor. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 known ✓ Q9H244 16/20 1.00
▸ PGR P06401 1/20 1.00
▸ ADORA3 P0DMS8 1/20 1.00
▸ CHRM1 P11229 1/20 1.00
▸ DRD1 P21728 1/20 1.00
▸ TBXA2R P21731 1/20 1.00
▸ PTGS1 P23219 1/20 1.00
▸ SLC6A2 P23975 1/20 1.00
▸ FPR3 P25089 1/20 1.00
▸ PDE4A P27815 1/20 1.00
▸ GPR183 P32249 1/20 1.00
▸ DRD3 P35462 1/20 1.00
▸ SLC6A3 Q01959 1/20 1.00
▸ KCNH2 Q12809 1/20 1.00
▸ PDE3A Q14432 1/20 1.00
▸ TMEM97 Q5BJF2 1/20 1.00
▸ SLC29A1 Q99808 1/20 1.00
▸ P2RY13 Q9BPV8 1/20 1.00
▸ CYP2C9 P11712 1/20 0.68

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
Ticagrelor SCHEMBL2612402 1.00 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL16296587 1.00 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL17679491 1.00 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL17244412 1.00 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL20208100 1.00 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL14566034 1.00 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL24418222 1.00 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL17679477 1.00 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL22375060 1.00 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL20866157 1.00 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
US-9604991-B2 Preparation method of ticagrelor and intermediates thereof SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-03-28 — — US disclosed
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