SCHEMBL27403757

SCHEMBL27403757

CC(C)C(=O)Cc1ccc(CN(CC(=O)O)C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL27398776 0.87 SLC18A3 (0.35) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL23085113 0.87 SLC18A3 (0.35) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL27398613 0.85 MEN1 (0.42) MEN1KMT2APPARDMAPK1HRH4
SCHEMBL27398768 0.82 KMT2A (0.43) MEN1KMT2APPARDMAPK1HRH4
SCHEMBL25703473 0.82 LTA4H (0.33) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL26483486 0.77 KMT2A (0.46) MEN1KMT2AMAPK1
SCHEMBL25703442 0.77 ATM (0.34) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL25703421 0.76 SIGMAR1 (0.37) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL22593577 0.75 MEN1 (0.43) MEN1KMT2APPARDMAPK1SMN1; SMN2
SCHEMBL6589364 0.74 MEN1 (0.43) MEN1KMT2APPARDMAPK1SMN1; SMN2

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-2024129479-A2 CYCLIC PEPTIDES AS PET IMAGING AGENTS OF GRANZYME B MERCK SHARP & DOHME LLC (US) 2024-06-20 — — WO disclosed
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