SCHEMBL30823946

SCHEMBL30823946

COc1cc([C@@H](C)C(=O)N2CCC3(CCc4cc5ccccc5nc4N3)C2)c(Cl)cn1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 17/20 0.75
▸ MC5R P33032 1/20 0.49
▸ MC3R P41968 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ ACACB O00763 2/20 0.36
▸ ACACA Q13085 2/20 0.36
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL24094660 0.87 MC4R (0.74) MC4RMC5RMC3RKCNH2ACACB
SCHEMBL31139109 0.87 MC4R (0.74) MC4RMC5RMC3RKCNH2ACACB
SCHEMBL24094662 0.87 MC4R (0.74) MC4RMC5RMC3RKCNH2ACACB
SCHEMBL30355172 0.85 MC4R (1.00) MC4RMC5RMC3RKCNH2
SCHEMBL24094569 0.85 MC4R (1.00) MC4RMC5RMC3RKCNH2
SCHEMBL30184858 0.85 MC4R (1.00) MC4RMC5RMC3RKCNH2
SCHEMBL25267222 0.85 MC4R (1.00) MC4RMC5RMC3RKCNH2
SCHEMBL25583997 0.85 MC4R (1.00) MC4RMC5RMC3RKCNH2
SCHEMBL24853331 0.82 MC4R (0.72) MC4RMC5RMC3RKCNH2
SCHEMBL24094702 0.82 MC4R (0.67) MC4RMC5RMC3RKCNH2

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-117736205-A Fused ring compounds as MC4R antagonists, pharmaceutical compositions and their use in medicine 长春金赛药业有限责任公司 2024-03-22 — — CN disclosed
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