SCHEMBL30457945

SCHEMBL30457945

CCCCOC(=O)N1CC[C@H](Nc2ccc(-c3noc(C(F)(F)F)n3)c(C)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 10/20 0.47
▸ HDAC6 Q9UBN7 5/20 0.47
▸ MC4R P32245 7/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC1 Q13547 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAP4K4 O95819 1/20 0.38

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
SCHEMBL31421699 0.86 HDAC6 (0.64) HDAC4HDAC6MC4RKCNH2HDAC8
SCHEMBL25277175 0.85 MC4R (0.51) HDAC4HDAC6MC4RKCNH2HDAC8
SCHEMBL30458624 0.82 MC4R (0.60) MC4RKCNH2MAP4K4
SCHEMBL31666906 0.80 MC4R (0.72) HDAC4HDAC6MC4RKCNH2HDAC1
SCHEMBL30458637 0.78 NOS2 (0.46) MC4RKCNH2MAP4K4
SCHEMBL21825201 0.74 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC1
SCHEMBL23292322 0.73 NOS2 (0.52) MAP4K4
SCHEMBL23292432 0.70 CCNK (0.51) MAP4K4
SCHEMBL25435475 0.70 HDAC4 (0.53) HDAC4HDAC6MC4RKCNH2HDAC8
SCHEMBL31421671 0.69 MC4R (0.69) HDAC4HDAC6MC4RKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444708-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2024-10-16 — — EP disclosed
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 — — WO disclosed
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