SCHEMBL30948967

SCHEMBL30948967

Cc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)ccc1-c1ncn(C)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 4/20 0.46
▸ GPR119 Q8TDV5 1/20 0.41
▸ HCRTR1 O43613 6/20 0.35
▸ HCRTR2 O43614 6/20 0.35
▸ DDB1 Q16531 2/20 0.35
▸ CRBN Q96SW2 2/20 0.35
▸ KCNH2 Q12809 1/20 0.33
▸ F13A1 P00488 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ TGM1 P22735 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ JAK2 O60674 1/20 0.33

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
SCHEMBL30948968 1.00 MC4R (0.46) MC4RGPR119HCRTR1HCRTR2DDB1
SCHEMBL31634680 1.00 MC4R (0.46) MC4RGPR119HCRTR1HCRTR2DDB1
SCHEMBL31634709 0.88 MC4R (0.40) MC4RGPR119DDB1CRBNF13A1
SCHEMBL30948963 0.87 MC4R (0.38) MC4RDDB1CRBNKCNH2F13A1
SCHEMBL31634661 0.87 MC4R (0.38) MC4RDDB1CRBNKCNH2F13A1
SCHEMBL31634671 0.84 KAT8 (0.38) MC4RDDB1CRBNF13A1TGM2
SCHEMBL30948962 0.84 KAT8 (0.38) MC4RDDB1CRBNF13A1TGM2
SCHEMBL31634705 0.83 TTK (0.42) GPR119
SCHEMBL30948978 0.83 TTK (0.42) GPR119
SCHEMBL31634663 0.83 MC4R (0.47) MC4RDDB1CRBNKCNH2MMP12

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-2024104452-A1 MC4R ANTAGONIST COMPOUND, PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL USE THEREOF 长春金赛药业有限责任公司 2024-05-23 — — WO disclosed
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