SCHEMBL25278377

SCHEMBL25278377

Cc1nc(N[C@H]2CCN(C(=O)O)C2)ccc1-c1ncccn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.59
▸ KCNH2 Q12809 4/20 0.49
▸ NOS2 P35228 2/20 0.45
▸ KDM5A P29375 1/20 0.42
▸ CCNK O75909 3/20 0.41
▸ CDK12 Q9NYV4 3/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ BTK Q06187 2/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ MNAT1 P51948 1/20 0.39

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
SCHEMBL30833316 0.86 MC4R (0.57) MC4RKCNH2NOS2BTK
SCHEMBL30458036 0.86 MC4R (0.57) MC4RKCNH2NOS2BTK
SCHEMBL25230080 0.82 MC4R (0.49) MC4RKCNH2CCNKCDK12JAK2
SCHEMBL25420312 0.81 MC4R (0.55) MC4RKCNH2CCNKCDK12BTK
SCHEMBL25435510 0.81 MC4R (0.52) MC4RKCNH2NOS2KDM5ACCNK
SCHEMBL25225248 0.80 MC4R (0.46) MC4RKCNH2NOS2CCNKCDK12
SCHEMBL25422750 0.80 MC4R (0.67) MC4RKCNH2CCNKCDK12BTK
SCHEMBL25277175 0.80 MC4R (0.51) MC4RKCNH2
SCHEMBL25437281 0.78 MC4R (0.55) MC4RKCNH2KDM5ACCNKCDK12
SCHEMBL25272411 0.77 OPRM1 (0.55) NOS2KDM5ACCNKCDK12JAK3

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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