SCHEMBL30457424

SCHEMBL30457424

COc1cc(C(C)C=O)c(F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
NNMT P40261 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MC4R P32245 5/20 0.33
AAK1 Q2M2I8 1/20 0.33
KCNH2 Q12809 3/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
KRAS P01116 1/20 0.32
SOS1 Q07889 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
DHODH Q02127 1/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
APLNR P35414 2/20 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
SCHEMBL11994352 0.81 P2RX3 (0.38) ERN1NNMTFFAR4MC4RAAK1
SCHEMBL30340511 0.76 MC4R (0.41) NNMTFFAR4MC4RKCNH2MC5R
SCHEMBL24094529 0.76 MC4R (0.41) NNMTFFAR4MC4RKCNH2MC5R
SCHEMBL24094514 0.76 MC4R (0.41) NNMTFFAR4MC4RKCNH2MC5R
SCHEMBL30318715 0.76 MC4R (0.41) NNMTFFAR4MC4RKCNH2MC5R
SCHEMBL24854145 0.76 MC4R (0.41) NNMTFFAR4MC4RKCNH2MC5R
SCHEMBL24940727 0.75 MC4R (0.42) ERN1NNMTFFAR4MC4RKCNH2
SCHEMBL19578794 0.74 AAK1 (0.35) NNMTFFAR4MC4RAAK1KCNH2
SCHEMBL31207268 0.74 NNMT (0.38) ERN1NNMTFFAR4MC4RKCNH2
SCHEMBL2599961 0.73 ERN1 (0.51) ERN1NNMTFFAR4AAK1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444708-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2024-10-16 EP claimed
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 WO claimed
EP-4444708-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2024-10-16 EP disclosed
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 WO disclosed