SCHEMBL24094618

SCHEMBL24094618

COc1cc([C@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5n[nH]c(C(F)F)n5)c(C)nc4N3)C2)nc(C)n1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 19/20 0.77
▸ KCNH2 Q12809 2/20 0.47
▸ MC5R P33032 1/20 0.47
▸ MC3R P41968 1/20 0.47
▸ FASN P49327 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
SCHEMBL24094617 1.00 MC4R (0.77) MC4RKCNH2MC5RMC3RFASN
SCHEMBL24094728 0.87 MC4R (0.77) MC4RKCNH2MC5RMC3R
SCHEMBL25205868 0.87 MC4R (0.77) MC4RKCNH2MC5RMC3R
SCHEMBL31139092 0.87 MC4R (0.77) MC4RKCNH2MC5RMC3R
SCHEMBL24940930 0.87 MC4R (0.77) MC4RKCNH2MC5RMC3R
SCHEMBL24940753 0.87 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL24939963 0.87 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL24940672 0.87 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL25421472 0.87 MC4R (1.00) MC4RKCNH2MC5RMC3R
SCHEMBL24939959 0.87 MC4R (1.00) 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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