SCHEMBL31634663

SCHEMBL31634663

Cc1nc(NC2CN(C(=O)OC(C)(C)C)CC23CC3)ccc1-c1nc(C(F)F)n(C)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 12/20 0.47
▸ KCNH2 Q12809 4/20 0.46
▸ IDH1 O75874 2/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ TRPV3 Q8NET8 2/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ CCNT1 O60563 1/20 0.30

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
SCHEMBL31634661 0.89 MC4R (0.38) MC4RKCNH2IDH1IDH2JAK2
SCHEMBL30948963 0.89 MC4R (0.38) MC4RKCNH2IDH1IDH2JAK2
SCHEMBL31634715 0.84 MC4R (0.36) MC4RKCNH2IDH1IDH2MMP12
SCHEMBL30948970 0.84 MC4R (0.36) MC4RKCNH2IDH1IDH2MMP12
SCHEMBL31634680 0.83 MC4R (0.46) MC4RKCNH2JAK2MMP12DDB1
SCHEMBL30948967 0.83 MC4R (0.46) MC4RKCNH2JAK2MMP12DDB1
SCHEMBL30948968 0.83 MC4R (0.46) MC4RKCNH2JAK2MMP12DDB1
SCHEMBL31634709 0.83 MC4R (0.40) MC4RIDH1IDH2MMP12DDB1
SCHEMBL31421655 0.83 MC4R (0.64) MC4RKCNH2IDH1
SCHEMBL30996531 0.83 MC4R (0.64) MC4RKCNH2IDH1

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-120202199-A MC4R antagonist compound, pharmaceutical composition and application thereof in medicine 长春金赛药业有限责任公司 2025-06-24 — — CN disclosed
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