SCHEMBL30496014

SCHEMBL30496014

COc1ccc(Cn2c(C3CNCC3(F)F)cc3cccc(F)c3c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
MAPT P10636 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL25433053 1.00 CHRM1 (0.39) CHRM1SLC5A1SLC5A2KDM4EALDH1A1
SCHEMBL25430413 0.82 SIGMAR1 (0.40) SLC5A1SLC5A2CYP3A4SMN1; SMN2CYP2D6
SCHEMBL30496054 0.82 SIGMAR1 (0.40) SLC5A1SLC5A2CYP3A4SMN1; SMN2CYP2D6
SCHEMBL31208038 0.77 KDM4E (0.48) SLC5A1SLC5A2KDM4EALDH1A1RXFP1
SCHEMBL25433242 0.77 KDM4E (0.48) SLC5A1SLC5A2KDM4EALDH1A1RXFP1
SCHEMBL25432242 0.73 KDM4E (0.44) SLC5A1SLC5A2KDM4EALDH1A1RXFP1
SCHEMBL31208032 0.73 P2RX3 (0.39) MAPT
SCHEMBL25430713 0.72 KDM4E (0.44) SLC5A1SLC5A2KDM4EALDH1A1RXFP1
SCHEMBL31528433 0.71 KDM4E (0.41) SLC5A1SLC5A2KDM4EALDH1A1RXFP1
SCHEMBL25434185 0.71 SLC5A1 (0.43) CHRM1SLC5A1SLC5A2KDM4EALDH1A1

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-4674841-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2026-01-07 EP disclosed
CN-118973578-A Pharmaceutical compounds 杜克街生物有限公司 2024-11-15 CN disclosed
EP-4444305-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-10-16 EP disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 WO disclosed