SCHEMBL25435323

SCHEMBL25435323

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 4/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ ITK Q08881 1/20 0.33
▸ KAT8 Q9H7Z6 3/20 0.32
▸ KAT6A Q92794 2/20 0.32
▸ KAT5 Q92993 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ KAT7 O95251 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ GAS6 Q14393 1/20 0.31

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
SCHEMBL25435054 1.00 MC4R (0.36) MC4RPDE10AITKKAT8KAT6A
SCHEMBL31421670 0.87 KAT8 (0.35) MC4RPDE10AKAT8KAT6AKAT5
SCHEMBL31421678 0.87 KAT8 (0.35) MC4RPDE10AKAT8KAT6AKAT5
SCHEMBL25436200 0.85 MC4R (0.51) MC4RKCNH2GABRA1GABRG2GABRB3
SCHEMBL25422383 0.85 MC4R (0.51) MC4RKCNH2GABRA1GABRG2GABRB3
SCHEMBL25435510 0.78 MC4R (0.52) MC4RPDE10AITKHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL30996533 0.76 GABRA1 (0.33) MC4RHCRTR1HCRTR2KCNH2GABRA1
Hydrochloric Acid SCHEMBL30996535 0.76 GABRA1 (0.33) MC4RHCRTR1HCRTR2KCNH2GABRA1
SCHEMBL31687281 0.71 AXL (0.33) MC4R
SCHEMBL31666921 0.71 MC4R (0.48) MC4RPDE10AITKHCRTR1HCRTR2

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
Send feedback