SCHEMBL9425466

SCHEMBL9425466

CCCCCCCN(CCOCCBr)C(=O)NC(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL9425761 0.88 MEN1 (0.44) MEN1FAAHMAPK1KMT2A
SCHEMBL9159359 0.86 MEN1 (0.46) MEN1FAAHMAPK1KMT2A
SCHEMBL24942562 0.77 MEN1 (0.47) MEN1FAAHMAPK1KMT2A
SCHEMBL19312859 0.70 CA12 (0.43) MEN1FAAHMAPK1KMT2A
SCHEMBL4373921 0.66 MEN1 (0.47) MEN1FAAHMAPK1KMT2A
SCHEMBL20261069 0.66 MEN1 (0.52) MEN1MAPK1KMT2A
SCHEMBL15743640 0.66 S1PR2 (0.39) —
SCHEMBL19196529 0.65 FAAH (0.64) MEN1FAAHMAPK1KMT2A
SCHEMBL9151135 0.65 EPHX1 (0.44) MEN1FAAHKMT2A
SCHEMBL30890868 0.65 DNM1 (0.43) —

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
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