SCHEMBL31634693

SCHEMBL31634693

COc1cc(C(C)C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4ncccn4)c(C)n3)C2)c(F)cn1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 14/20 0.76
▸ KCNH2 Q12809 4/20 0.59
▸ MC5R P33032 1/20 0.51
▸ MC3R P41968 1/20 0.51
▸ HCRTR2 O43614 6/20 0.36
▸ HCRTR1 O43613 5/20 0.36

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
SCHEMBL31634691 1.00 MC4R (0.76) MC4RKCNH2MC5RMC3RHCRTR2
SCHEMBL31687308 1.00 MC4R (0.76) MC4RKCNH2MC5RMC3RHCRTR2
SCHEMBL31634720 0.91 MC4R (0.62) MC4RKCNH2MC5RMC3RHCRTR2
SCHEMBL31687304 0.91 MC4R (0.62) MC4RKCNH2MC5RMC3RHCRTR2
SCHEMBL31687307 0.86 MC4R (1.00) MC4RKCNH2MC5RMC3RHCRTR2
SCHEMBL31634723 0.84 MC4R (0.73) MC4RKCNH2MC5RMC3RHCRTR2
SCHEMBL31687268 0.77 MC4R (0.82) MC4RKCNH2MC5RMC3R
SCHEMBL25276740 0.77 MC4R (0.83) MC4RKCNH2MC5RMC3R
SCHEMBL25227171 0.77 MC4R (0.83) MC4RKCNH2MC5RMC3R
SCHEMBL31687274 0.77 MC4R (0.83) MC4RKCNH2MC5RMC3R

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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