Sugi Predict

Sugi Predict / Compounds / SCHEMBL25439203

SCHEMBL25439203

SCHEMBL25439203

COc1cc([C@@H](C)C(=O)N2CC[C@H](Nc3ccc(-c4nc(C(F)(F)F)n(C)n4)c(C)n3)C2)c(F)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 17/20 1.00
▸ KCNH2 Q12809 6/20 0.81
▸ MC5R P33032 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ SYK P43405 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ BTK Q06187 1/20 0.37

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
SCHEMBL31421661 1.00 MC4R (1.00) MC4RKCNH2MC5RMC3RSYK
SCHEMBL25275069 0.96 MC4R (0.92) MC4RKCNH2MC5RMC3RSYK
SCHEMBL30457859 0.96 MC4R (0.92) MC4RKCNH2MC5RMC3RSYK
SCHEMBL25227906 0.96 MC4R (0.92) MC4RKCNH2MC5RMC3RSYK
SCHEMBL31666916 0.95 MC4R (0.91) MC4RKCNH2MC5RMC3RSYK
SCHEMBL31421679 0.93 MC4R (0.86) MC4RKCNH2SYK
SCHEMBL25421666 0.90 MC4R (1.00) MC4RKCNH2MC5RMC3REGFR
SCHEMBL30996495 0.90 MC4R (1.00) MC4RKCNH2MC5RMC3REGFR
SCHEMBL31666900 0.88 MC4R (0.79) MC4RKCNH2SYK
SCHEMBL31687307 0.87 MC4R (1.00) MC4RKCNH2MC5RMC3RSYK

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
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 — — WO claimed
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 — — WO disclosed
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