SCHEMBL31706363

SCHEMBL31706363

[2H]OC(=O)c1cc(NCc2c(C)cccc2C)c2nc(C)c(C)n2c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.70
CYP2C9 P11712 20/20 0.70
CYP2D6 P10635 10/20 0.70
CYP2C19 P33261 8/20 0.67
CYP1A2 P05177 7/20 0.67

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
SCHEMBL3274522 0.92 CYP3A4 (0.74) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4180262 0.87 CYP3A4 (0.73) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1816215 0.87 CYP3A4 (0.86) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4170085 0.85 CYP3A4 (0.83) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6349099 0.85 CYP3A4 (0.70) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL5257853 0.84 CYP3A4 (0.63) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL14290065 0.84 CYP3A4 (0.68) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL2368041 0.83 CYP3A4 (0.68) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL20987023 0.83 CYP3A4 (0.65) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL20986992 0.82 CYP3A4 (0.67) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

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-2025215593-A1 AN IMPROVED PROCESS FOR PREPARATION OF ZASTAPRAZAN HETERO LABS LIMITED (IN) 2025-10-16 WO disclosed