SCHEMBL4591574

SCHEMBL4591574

Cc1cccc(C)c1CNc1cc(C(=O)NCCCO)cn2c(C)c(C)nc12

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.89
CYP2C9 P11712 20/20 0.89
CYP2D6 P10635 10/20 0.89
CYP2C19 P33261 8/20 0.62
CYP1A2 P05177 7/20 0.62

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
SCHEMBL6922991 0.96 CYP3A4 (0.83) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Linaprazan SCHEMBL1138353 0.94 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4609507 0.94 CYP3A4 (0.78) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Linaprazan SCHEMBL1138430 0.91 CYP3A4 (0.93) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1818433 0.88 CYP3A4 (0.88) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6922993 0.87 CYP3A4 (0.73) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL25448140 0.85 CYP3A4 (0.77) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4174598 0.85 CYP3A4 (0.76) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL3274128 0.85 CYP3A4 (0.76) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4591548 0.85 CYP3A4 (0.76) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879891-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-23 EP claimed
WO-2006117315-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECCTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 WO claimed
EP-4499046-A1 X842 FORMULATION Guizhou Sinorda Biomedicine Co., Ltd (CN) 2025-02-05 EP disclosed
CN-119139298-A X842 formulations 贵州生诺生物科技有限公司 2024-12-17 CN disclosed
CN-117157059-B X842 formulations 贵州生诺生物科技有限公司 2024-09-13 CN disclosed
CN-117157059-A X842 formulations 贵州生诺生物科技有限公司 2023-12-01 CN disclosed