SCHEMBL31666895

SCHEMBL31666895

COc1cc(C(C)C(=O)N2CC[C@H](Nc3ccc(-c4nc(C(F)F)n(C)n4)c(C)n3)C2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 14/20 1.00
▸ KCNH2 Q12809 5/20 0.78
▸ SYK P43405 2/20 0.40
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ NOS3 P29474 3/20 0.34
▸ NOS1 P29475 3/20 0.34
▸ NOS2 P35228 3/20 0.34

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
SCHEMBL25421666 0.87 MC4R (1.00) MC4RKCNH2
SCHEMBL30996495 0.87 MC4R (1.00) MC4RKCNH2
SCHEMBL30996497 0.87 MC4R (0.86) MC4RKCNH2
SCHEMBL31666907 0.86 MC4R (0.76) MC4RKCNH2SYKJAK2JAK1
SCHEMBL30457681 0.83 MC4R (1.00) MC4RKCNH2SYK
SCHEMBL25422750 0.80 MC4R (0.67) MC4RKCNH2
SCHEMBL31666920 0.80 MC4R (0.67) MC4RKCNH2SYKJAK2JAK1
SCHEMBL31666919 0.79 MC4R (0.70) MC4RKCNH2SYKJAK2JAK1
SCHEMBL25437050 0.79 MC4R (0.85) MC4RKCNH2
SCHEMBL30458072 0.79 MC4R (0.85) MC4RKCNH2

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
EP-4444708-B1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER (US) 2025-07-30 — — EP disclosed
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