SCHEMBL25277175

SCHEMBL25277175

Cc1nc(N[C@H]2CCN(C(=O)O)C2)ccc1-c1noc(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 7/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ HDAC4 P56524 13/20 0.48
▸ HDAC6 Q9UBN7 7/20 0.48
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42

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 0.88 HDAC6 (0.64) MC4RKCNH2HDAC4HDAC6HDAC1
SCHEMBL31666906 0.85 MC4R (0.72) MC4RKCNH2HDAC4HDAC6HDAC1
SCHEMBL30457945 0.85 HDAC4 (0.47) MC4RKCNH2HDAC4HDAC6HDAC1
SCHEMBL25278377 0.80 MC4R (0.59) MC4RKCNH2
SCHEMBL14918363 0.77 HDAC6 (0.57) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL25435475 0.76 HDAC4 (0.53) MC4RKCNH2HDAC4HDAC6HDAC1
SCHEMBL25437281 0.76 MC4R (0.55) MC4RKCNH2
SCHEMBL25422750 0.76 MC4R (0.67) MC4RKCNH2
Hydrochloric Acid SCHEMBL30457709 0.75 HDAC4 (0.52) MC4RKCNH2HDAC4HDAC6HDAC1
SCHEMBL25420312 0.75 MC4R (0.55) MC4RKCNH2

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-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 — — WO disclosed
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