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Sugi Predict / Compounds / SCHEMBL3223719

SCHEMBL3223719

SCHEMBL3223719

CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1SC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 1.00
▸ CYP3A4 P08684 4/20 0.67
▸ CYP2C9 P11712 4/20 0.67
▸ CHRM2 P08172 1/20 0.67
▸ DRD3 P35462 1/20 0.67
▸ CYP2C19 P33261 1/20 0.59

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
SCHEMBL3324480 0.95 P2RY12 (0.91) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3231399 0.93 P2RY12 (0.87) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3227699 0.92 P2RY12 (0.86) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3235381 0.91 P2RY12 (0.84) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3936819 0.90 P2RY12 (0.82) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3218757 0.90 P2RY12 (1.00) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3230320 0.90 P2RY12 (0.81) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3325926 0.89 P2RY12 (0.83) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3232633 0.89 P2RY12 (0.82) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3324560 0.88 P2RY12 (1.00) P2RY12CYP3A4CYP2C9CHRM2DRD3

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-2010005384-A1 KETONE PYRIDINE ANALOGUES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ASTRAZENECA AB (SE) 2010-01-14 — — WO disclosed