SCHEMBL7001400

SCHEMBL7001400

OC[C@@H]1C[C@H](n2nnc3c(NC4CC4c4ccccc4)nc(SCCC(F)(F)F)nc32)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 1.00
▸ PGR P06401 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ FPR3 P25089 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ GPR183 P32249 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ SLC29A1 Q99808 1/20 0.52
▸ P2RY13 Q9BPV8 1/20 0.52

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
SCHEMBL3606381 0.93 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL29688094 0.93 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL22228643 0.93 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL29688058 0.90 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL3603173 0.90 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7001502 0.90 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7000111 0.89 P2RY12 (0.89) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL6998530 0.88 P2RY12 (0.91) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL6995627 0.88 P2RY12 (0.89) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL5730114 0.87 P2RY12 (0.81) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 — — EP claimed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 — — US claimed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 — — US disclosed
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