SCHEMBL8938677

SCHEMBL8938677

O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)c1nc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PREP P48147 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
F2 P00734 1/20 0.39

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
SCHEMBL8938600 0.82 MEN1 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2841931 0.79 HPGD (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2841930 0.79 HPGD (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7297456 0.75 MEN1 (0.49) MEN1KMT2ANPC1RAB9APREP
SCHEMBL7297462 0.75 MEN1 (0.49) MEN1KMT2ANPC1RAB9APREP
SCHEMBL9879640 0.74 MEN1 (0.57) MEN1KMT2ANPC1RAB9APREP
SCHEMBL7302362 0.73 MEN1 (0.45) MEN1KMT2ANPC1RAB9APREP
SCHEMBL7302355 0.73 MEN1 (0.45) MEN1KMT2ANPC1RAB9APREP
SCHEMBL6285952 0.73 PREP (0.65) MEN1KMT2ANPC1RAB9APREP
SCHEMBL6285958 0.73 PREP (0.65) MEN1KMT2ANPC1RAB9APREP

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
US-5547978-A ENDOPEPTIDASE INHIBITORS MEIJI SEIKA KAISHA, LTD. (JP) 1996-08-20 US disclosed