SCHEMBL29769717

SCHEMBL29769717

CCN(C(=O)c1cnn([C@@H](C)C(C)C)c1C)c1ccnnc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 3/20 0.41
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MET P08581 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ UBE2M P61081 1/20 0.31
▸ DCUN1D1 Q96GG9 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ SPR P35270 1/20 0.30
▸ FPR1 P21462 1/20 0.30

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
SCHEMBL15472432 1.00 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL22213996 1.00 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL29424872 1.00 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL22213997 1.00 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
Hydrochloric Acid SCHEMBL21326173 0.99 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL15472436 0.91 OXTR (0.40) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL16973459 0.91 OXTR (0.40) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL18498553 0.91 OXTR (0.40) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL15472435 0.91 OXTR (0.43) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL29284667 0.89 OXTR (0.39) OXTRCYP3A4CYP2C9CYP2B6CYP2C19

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-4475679-A1 USE OF DIMPROPYRIDAZ FOR REDUCING VIRAL AND BACTERIAL TRANSMISSION BASF SE (DE) 2024-12-18 — — EP disclosed
EP-4351340-A1 WATER-DISPERSIBLE GRANULE OF DIMPROPYRIDAZ BASF SE (DE) 2024-04-17 — — EP disclosed
CN-117500374-A Water-dispersible granules of oxazin-mefenoxam 巴斯夫欧洲公司 2024-02-02 — — CN disclosed
WO-2023152045-A1 USE OF DIMPROPYRIDAZ FOR REDUCING VIRAL AND BACTERIAL TRANSMISSION BASF SE (DE) 2023-08-17 — — WO disclosed
WO-2022258424-A1 WATER-DISPERSIBLE GRANULE OF DIMPROPYRIDAZ BASF SE (DE) 2022-12-15 — — WO disclosed
CN-114727598-A Stabilization of metribuzole amide suspensions by triethylammonium chloride 巴斯夫欧洲公司 2022-07-08 — — CN disclosed
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