SCHEMBL28417596

SCHEMBL28417596

NC(=O)OCC1CN(C2CCOCC2)CCO1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.44
▸ PDK1 Q15118 2/20 0.39
▸ HTR4 Q13639 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ EPHA2 P29317 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL28414511 0.78 PDK1 (0.38) HRH3PDK1NPSR1
SCHEMBL22732611 0.76 HRH3 (0.42) HRH3HTR4ALDH1A1PKMEPHA2
SCHEMBL22732727 0.76 HRH3 (0.42) HRH3HTR4ALDH1A1PKMEPHA2
SCHEMBL29233712 0.75 PDK1 (0.47) HRH3PDK1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL30133730 0.74 HRH3 (0.41) HRH3HTR4ALDH1A1PKMEPHA2
SCHEMBL23710030 0.72 HRH3 (0.47) HRH3HTR4ALDH1A1PKMEPHA2
SCHEMBL28515787 0.69 PDK1 (0.39) PDK1
SCHEMBL22732893 0.69 HTR4 (0.43) HRH3HTR4ALDH1A1PKMEPHA2
SCHEMBL8845308 0.69 LMNA (0.64) NPSR1ALDH1A1
SCHEMBL23049101 0.69 LMNA (0.64) NPSR1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938068-B N- (morpholin-2-ylmethyl) amide derivatives and uses thereof 广东东阳光药业有限公司 2022-12-23 — — CN disclosed
CN-110938068-A N- (morpholin-2-ylmethyl) amide derivatives and their use 广东东阳光药业有限公司 2020-03-31 — — CN disclosed
Send feedback