SCHEMBL25435510

SCHEMBL25435510

Cc1nc(N[C@H]2CCN(C(=O)O)C2)ccc1-c1cn(C)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 11/20 0.52
▸ KCNH2 Q12809 5/20 0.46
▸ KDM5A P29375 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.39
▸ ITK Q08881 1/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL31666921 0.87 MC4R (0.48) MC4RKCNH2KDM5APDE10AITK
SCHEMBL31421674 0.87 MC4R (0.48) MC4RKCNH2
SCHEMBL31666910 0.83 MC4R (0.46) MC4RKCNH2KDM5APDE10AITK
SCHEMBL25421659 0.81 MC4R (0.49) MC4RKCNH2KDM5ACCNKCDK12
SCHEMBL31666901 0.81 MC4R (0.56) MC4RKCNH2
SCHEMBL25278377 0.81 MC4R (0.59) MC4RKCNH2KDM5ACCNKCDK12
SCHEMBL31666903 0.80 MC4R (0.55) MC4RKCNH2NOS3NOS1NOS2
SCHEMBL25421249 0.80 MC4R (0.53) MC4RKCNH2
SCHEMBL25435054 0.78 MC4R (0.36) MC4RKCNH2PDE10AITKHCRTR1
SCHEMBL25435323 0.78 MC4R (0.36) MC4RKCNH2PDE10AITKHCRTR1

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