SCHEMBL24094652

SCHEMBL24094652

COc1cc([C@@H](C)C(=O)N(C)CC[C@H]2CCc3cc(Cl)c(C)nc3N2)c(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 15/20 0.42
▸ KCNH2 Q12809 4/20 0.37
▸ MC5R P33032 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ FFAR1 O14842 2/20 0.32
▸ MAPK1 P28482 2/20 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
SCHEMBL25588054 0.86 MC4R (0.41) MC4RKCNH2MC5RMC3RMAPK1
SCHEMBL25588048 0.81 MC4R (0.48) MC4RKCNH2MC5RMC3RFFAR1
SCHEMBL25588822 0.74 MC4R (0.46) MC4RKCNH2MC5RMC3RFFAR1
SCHEMBL25588046 0.74 MC4R (0.48) MC4RKCNH2MC5RMC3RFFAR1
SCHEMBL25588015 0.74 MC4R (0.38) MC4RKCNH2MC5RMC3RFFAR1
SCHEMBL25586681 0.74 MC4R (0.48) MC4RKCNH2MC5RMC3R
SCHEMBL25588736 0.74 MC4R (0.44) MC4RKCNH2MC5RMC3RFFAR1
SCHEMBL25588857 0.73 MC4R (0.44) MC4RKCNH2MC5RMC3R
SCHEMBL25588197 0.72 MC4R (0.46) MC4RKCNH2MC5RMC3R
SCHEMBL25586770 0.71 MC4R (0.63) 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
WO-2021250541-A1 SPIRO COMPOUNDS AS MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2021-12-16 — — WO disclosed
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