SCHEMBL26446019

SCHEMBL26446019

C[C@@H]1CCCN([C@H](C)CO)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
HRH3 Q9Y5N1 1/20 0.33
LIPE Q05469 2/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL26433881 1.00 KDM4E (0.41) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL26478556 1.00 KDM4E (0.41) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL26433911 1.00 KDM4E (0.41) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL5971686 0.88 HRH3 (0.38) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL15047433 0.88 HRH3 (0.38) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL5998295 0.88 HRH3 (0.38) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL5995166 0.88 HRH3 (0.38) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL806361 0.88 HRH3 (0.38) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL14855774 0.88 HRH3 (0.38) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL14915000 0.88 HRH3 (0.38) KDM4EALDH1A1MEN1KMT2AHRH3

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
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed