SCHEMBL30996531

SCHEMBL30996531

Cc1nc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1nc(C(F)F)n(C)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.64
▸ KCNH2 Q12809 4/20 0.62
▸ IDH1 O75874 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BTK Q06187 2/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PIM2 Q9P1W9 2/20 0.39

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
SCHEMBL31421655 1.00 MC4R (0.64) MC4RKCNH2IDH1HDAC4HDAC6
SCHEMBL31421667 0.94 MC4R (0.63) MC4RKCNH2IDH1HDAC4HDAC6
SCHEMBL30996520 0.90 MC4R (0.53) MC4RKCNH2IDH1HDAC4HDAC6
SCHEMBL31421648 0.90 MC4R (0.53) MC4RKCNH2IDH1HDAC4HDAC6
SCHEMBL31421659 0.88 MC4R (0.63) MC4RKCNH2IDH1HDAC4HDAC6
SCHEMBL25422750 0.88 MC4R (0.67) MC4RKCNH2BTK
SCHEMBL31421671 0.87 MC4R (0.69) MC4RKCNH2IDH1HDAC4HDAC6
SCHEMBL31421675 0.86 MC4R (0.53) MC4RKCNH2IDH1HDAC4HDAC6
SCHEMBL31421691 0.85 MC4R (0.48) MC4RKCNH2IDH1HDAC4HDAC6
SCHEMBL31421663 0.83 MC4R (0.62) MC4RKCNH2IDH1HDAC4HDAC6

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
CN-118369317-A Melanocortin 4 receptor antagonists and uses thereof 辉瑞大药厂 2024-07-19 — — CN disclosed
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