SCHEMBL28562143

SCHEMBL28562143

CCN(C(=O)c1cnn(C(C)C(C#N)CCCl)c1C)c1ccnnc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 2/20 0.35
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL30842988 0.89 KMT2A (0.35) —
SCHEMBL22213996 0.83 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL15472432 0.83 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL29424872 0.83 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL29769717 0.83 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL22213997 0.83 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
Hydrochloric Acid SCHEMBL21326173 0.82 OXTR (0.41) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL16973459 0.81 OXTR (0.40) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL18498553 0.81 OXTR (0.40) OXTRCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL15472436 0.81 OXTR (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114080155-B Shear stable composition for spray drift control 巴斯夫欧洲公司 2024-03-26 — — CN disclosed
CN-114080155-A Shear stable compositions for spray drift control 巴斯夫欧洲公司 2022-02-22 — — CN disclosed
CN-112888310-A Additive for stabilizing polyacrylamide copolymer solutions under high shear conditions 巴斯夫欧洲公司 2021-06-01 — — CN disclosed
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