Sugi Predict

Sugi Predict / Compounds / Cyclohexane

Cyclohexane

Cyclohexane

SCHEMBL6180435

C1CCCCC1.COc1ccccc1C1CCN(C[C@@H](Cc2ccncc2)N(C)C(=O)O)CC1

nearest known ligand 0.48

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ HTR1A P08908 3/20 0.46
▸ DRD2 P14416 2/20 0.44
▸ CHRM4 P08173 1/20 0.43
▸ PROKR1 Q8TCW9 2/20 0.42
▸ ATM Q13315 1/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PDE4A P27815 1/20 0.40

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 SCHEMBL6178387 0.90 MEN1 (0.48) MEN1KMT2AHTR1ADRD2CHRM4
SCHEMBL6177728 0.90 HTR1A (0.56) MEN1KMT2AHTR1ADRD2CHRM4
SCHEMBL6178420 0.81 HTR1A (0.54) MEN1KMT2AHTR1ADRD2CHRM4
SCHEMBL6178255 0.81 HTR1A (0.45) MEN1KMT2AHTR1ACHRM4MAPK1
SCHEMBL6180428 0.80 MEN1 (0.50) MEN1KMT2ADRD2CHRM4ATM
SCHEMBL6181828 0.79 MEN1 (0.45) MEN1KMT2AHTR1ADRD2CHRM4
SCHEMBL6181848 0.78 MEN1 (0.55) MEN1KMT2ADRD2ATMDRD4
SCHEMBL6180433 0.77 MEN1 (0.53) MEN1KMT2ADRD2CHRM4ATM
SCHEMBL6180627 0.77 DRD4 (0.51) MEN1KMT2AHTR1ADRD2CHRM4
Cyclohexane SCHEMBL6179896 0.75 MEN1 (0.57) MEN1KMT2AHTR1ADRD2CHRM4

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
EP-1140830-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 — — EP claimed