Sugi Predict

Sugi Predict / Compounds / SCHEMBL4782299

SCHEMBL4782299

SCHEMBL4782299

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1CN1CCCCC1=O.CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(OC)cc3)CC2)nc1CN1CCCCC1=O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.68
▸ CYP2C9 P11712 8/20 0.68
▸ CYP3A4 P08684 6/20 0.68
▸ CHRM2 P08172 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL4739446 0.95 P2RY12 (0.75) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4739510 0.93 P2RY12 (0.76) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4737208 0.93 P2RY12 (0.75) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4741345 0.92 P2RY12 (0.75) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4739472 0.91 P2RY12 (0.75) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4737252 0.90 P2RY12 (0.75) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4742134 0.88 P2RY12 (0.74) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4742731 0.87 P2RY12 (0.66) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4741702 0.87 P2RY12 (0.66) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4741382 0.87 P2RY12 (0.73) P2RY12CYP2C9CYP3A4CHRM2DRD3

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-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 — — WO disclosed