SCHEMBL28405167

SCHEMBL28405167

C#CCC(C)(C)C1CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPY2R P49146 1/20 0.30
BCHE P06276 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
SCHEMBL18403060 0.81 HPGD (0.51) ALDH1A1SMN1; SMN2
SCHEMBL4476428 0.79 CYP2D6 (0.38) LMNACYP2D6KCNH2HRH3HSD11B1
SCHEMBL23071043 0.77 CYP2D6 (0.31) LMNACYP2D6KCNH2HRH3
SCHEMBL4261031 0.76 LMNA (0.38) LMNACYP2D6KCNH2HRH3HSD11B1
SCHEMBL5765556 0.74 CYP2D6 (0.55) LMNACYP2D6KCNH2HRH3HSD11B1
SCHEMBL4465716 0.73 CYP2D6 (0.34) LMNACYP2D6KCNH2HRH3HSD11B1
Hydrochloric Acid SCHEMBL29034671 0.72 CYP2D6 (0.53) LMNACYP2D6KCNH2HRH3HSD11B1
SCHEMBL1049997 0.71 CYP2D6 (0.40) LMNACYP2D6KCNH2HRH3HSD11B1
SCHEMBL3552647 0.71 CYP2D6 (0.40) LMNACYP2D6KCNH2HRH3HSD11B1
SCHEMBL22441554 0.70 CYP2D6 (0.40) LMNACYP2D6KCNH2HRH3ALDH1A1

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-107454898-B Ghrelin O-acyltransferase inhibitors 伊莱利利公司 2020-05-05 CN disclosed