SCHEMBL25422750

SCHEMBL25422750

Cc1nc(N[C@H]2CCN(C(=O)O)C2)ccc1-c1nc(C(F)F)n(C)n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 11/20 0.67
▸ KCNH2 Q12809 5/20 0.65
▸ CCNK O75909 3/20 0.35
▸ CDK12 Q9NYV4 3/20 0.35
▸ BTK Q06187 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32

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
SCHEMBL25437281 0.89 MC4R (0.55) MC4RKCNH2CCNKCDK12BTK
SCHEMBL31421655 0.88 MC4R (0.64) MC4RKCNH2BTK
SCHEMBL30996531 0.88 MC4R (0.64) MC4RKCNH2BTK
SCHEMBL25420312 0.85 MC4R (0.55) MC4RKCNH2CCNKCDK12BTK
SCHEMBL25421659 0.84 MC4R (0.49) MC4RKCNH2CCNKCDK12BTK
SCHEMBL31421667 0.82 MC4R (0.63) MC4RKCNH2BTK
SCHEMBL31666907 0.81 MC4R (0.76) MC4RKCNH2PIK3CDPIK3R1
SCHEMBL31666895 0.80 MC4R (1.00) MC4RKCNH2
SCHEMBL25278377 0.80 MC4R (0.59) MC4RKCNH2CCNKCDK12BTK
SCHEMBL25421666 0.79 MC4R (1.00) MC4RKCNH2BTKPIK3CDPIK3R1

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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