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Cyclohexane Carboxamide

Cyclohexane Carboxamide

SCHEMBL28819611

CC(C)CC(C(=O)O)n1c(-c2ccc(Cl)cc2)nc2ccccc21.NC(=O)C1CCCCC1

nearest known ligand 0.59

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 19/20 0.59
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KCNH2 Q12809 1/20 0.41

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
Cyclohexane Carboxamide SCHEMBL28819715 0.92 NR1H4 (0.49) NR1H4CYP3A4CYP2D6CYP2C9
Cyclohexane Carboxamide SCHEMBL28819590 0.92 NR1H4 (0.49) NR1H4CYP3A4CYP2D6CYP2C9
Cyclohexane Carboxamide SCHEMBL28819506 0.91 NR1H4 (0.49) NR1H4
Cyclohexane Carboxamide SCHEMBL28819682 0.91 NR1H4 (0.49) NR1H4CYP3A4CYP2D6CYP2C9
Cyclohexane Carboxamide SCHEMBL28948660 0.90 NR1H4 (0.48) NR1H4CYP3A4CYP2D6CYP2C9
Cyclohexane Carboxamide SCHEMBL28819483 0.90 NR1H4 (0.48) NR1H4CYP3A4CYP2D6CYP2C9
SCHEMBL29881017 0.88 NR1H4 (0.56) NR1H4
SCHEMBL29880832 0.88 NR1H4 (0.56) NR1H4
Cyclohexane Carboxamide SCHEMBL28819722 0.87 NR1H4 (0.44) NR1H4
Cyclohexane Carboxamide SCHEMBL28819581 0.85 OPRM1 (0.44) NR1H4

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
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 — — CN disclosed