SCHEMBL31139124

SCHEMBL31139124

COc1cc([C@@H](C)C(=O)N2CCC3(CCc4cc(-c5cnn(C)c5)c(C)nc4N3)C2)c(Cl)cn1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 20/20 0.79
▸ MC5R P33032 1/20 0.54
▸ MC3R P41968 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54

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
SCHEMBL24940000 1.00 MC4R (0.79) MC4RMC5RMC3RKCNH2
SCHEMBL25584034 1.00 MC4R (0.79) MC4RMC5RMC3RKCNH2
SCHEMBL24939994 0.96 MC4R (0.73) MC4RMC5RMC3RKCNH2
SCHEMBL30318656 0.92 MC4R (0.79) MC4RMC5RMC3RKCNH2
SCHEMBL30355165 0.92 MC4R (0.79) MC4RMC5RMC3RKCNH2
SCHEMBL24940664 0.92 MC4R (0.79) MC4RMC5RMC3RKCNH2
SCHEMBL25583961 0.92 MC4R (0.79) MC4RMC5RMC3RKCNH2
SCHEMBL24094569 0.88 MC4R (1.00) MC4RMC5RMC3RKCNH2
SCHEMBL30184858 0.88 MC4R (1.00) MC4RMC5RMC3RKCNH2
SCHEMBL25267222 0.88 MC4R (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161927-B9 SPIRO COMPOUNDS AS MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER (US) 2024-11-06 — — EP disclosed
EP-4161927-B1 SPIRO COMPOUNDS AS MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER (US) 2024-08-07 — — EP disclosed
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