SCHEMBL30948963

SCHEMBL30948963

Cc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)ccc1-c1nc(C)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 8/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ MMP12 P39900 1/20 0.32
▸ IDH1 O75874 2/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ DDB1 Q16531 2/20 0.32
▸ CRBN Q96SW2 2/20 0.32
▸ F13A1 P00488 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ TGM1 P22735 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ NAMPT P43490 1/20 0.31

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 1.00 MC4R (0.38) MC4RKCNH2MMP12IDH1IDH2
SCHEMBL31634663 0.89 MC4R (0.47) MC4RKCNH2MMP12IDH1IDH2
SCHEMBL30948967 0.87 MC4R (0.46) MC4RKCNH2MMP12DDB1CRBN
SCHEMBL31634680 0.87 MC4R (0.46) MC4RKCNH2MMP12DDB1CRBN
SCHEMBL30948968 0.87 MC4R (0.46) MC4RKCNH2MMP12DDB1CRBN
SCHEMBL31634709 0.86 MC4R (0.40) MC4RMMP12IDH1IDH2DDB1
SCHEMBL31634688 0.84 PIM1 (0.32) MC4RKCNH2MMP12IDH1IDH2
SCHEMBL30948989 0.84 PIM1 (0.32) MC4RKCNH2MMP12IDH1IDH2
SCHEMBL31634705 0.82 TTK (0.42) —
SCHEMBL30948978 0.82 TTK (0.42) —

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
Send feedback