SCHEMBL7510289

SCHEMBL7510289

CCCSc1nc(NC2C[C@H]2c2ccccc2)c2nnn([C@H]3C[C@@H](C(=O)O)C[C@@H]3O)c2n1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.79
▸ CYP2C9 P11712 1/20 0.54
▸ PGR P06401 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ DRD1 P21728 1/20 0.54
▸ TBXA2R P21731 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ FPR3 P25089 1/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ GPR183 P32249 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.54
▸ SLC29A1 Q99808 1/20 0.54
▸ P2RY13 Q9BPV8 1/20 0.54

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
SCHEMBL16510372 1.00 P2RY12 (0.79) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL7000932 0.88 P2RY12 (1.00) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL7004138 0.88 P2RY12 (0.72) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL7506828 0.87 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Bicarbonate SCHEMBL7509661 0.87 P2RY12 (0.95) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL7504488 0.87 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7513923 0.87 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL5729536 0.87 P2RY12 (0.83) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL6625952 0.86 P2RY12 (0.75) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL6622234 0.86 P2RY12 (0.75) P2RY12CYP2C9PGRADORA3CHRM1

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-0998475-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-04-17 — — EP claimed
EP-0998475-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-04-17 — — EP disclosed
US-6166022-A Compounds ASTRAZENECA UK LIMITED (GB) 2000-12-26 — — US disclosed
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