SCHEMBL9425761

SCHEMBL9425761

CCCCCCCN(CCOCCO)C(=O)NC(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ FAAH O00519 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL9425466 0.88 MEN1 (0.40) MEN1KMT2AFAAHMAPK1
SCHEMBL20261069 0.79 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL24942562 0.78 MEN1 (0.47) MEN1KMT2AFAAHMAPK1
SCHEMBL9159359 0.78 MEN1 (0.46) MEN1KMT2AFAAHMAPK1
SCHEMBL8101448 0.77 MEN1 (0.49) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8108773 0.77 MEN1 (0.49) MEN1KMT2ATHRBHTTMAPT
SCHEMBL26801512 0.77 MEN1 (0.49) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8115453 0.77 MEN1 (0.49) MEN1KMT2ATHRBHTTMAPT
SCHEMBL24288771 0.75 MEN1 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL29361952 0.73 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT

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-5358946-A Heterocycle-substituted amides, carbamates and ureas as agents for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-25 — — US disclosed
Send feedback