SCHEMBL30747896

SCHEMBL30747896

CNC(=O)C1CN(CC(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA7 P36544 1/20 0.35
NOTUM Q6P988 1/20 0.35
PDK2 Q15119 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP4K4 O95819 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ARG1 P05089 1/20 0.31
HPGDS O60760 1/20 0.30
ACKR3 P25106 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL31581509 0.93 BCHE (0.38) BCHECHRNB2CHRNA4CHRNA7NOTUM
SCHEMBL28167534 0.82 RXFP1 (0.42) BCHENOTUMPDK2RXFP1HPGDS
SCHEMBL20161465 0.76 S1PR5 (0.40) NOTUMARG1
SCHEMBL21423962 0.76 BCHE (0.49) BCHECHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL23855102 0.75 SMN1; SMN2 (0.38) BCHEPDK2ARG1
SCHEMBL30747946 0.74 TSHR (0.46) TSHRMAPK1
SCHEMBL28389598 0.73 ARG1 (0.35) ARG1
Hydrochloric Acid SCHEMBL28336794 0.73 SMN1; SMN2 (0.37) BCHEPDK2ARG1
SCHEMBL20139634 0.73 ARG1 (0.32) ARG1
SCHEMBL28257297 0.73 BCHE (0.43) BCHECHRNB2CHRNA4CHRNA7CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025104412-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2025-05-22 WO claimed
EP-4522596-A1 DIHYDROINDENE DERIVATIVES AS MALT1 INHIBITORS C4X Discovery Limited (GB) 2025-03-19 EP claimed
WO-2023218203-A1 DIHYDROINDENE DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-11-16 WO claimed
WO-2025104412-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2025-05-22 WO disclosed
EP-4522596-A1 DIHYDROINDENE DERIVATIVES AS MALT1 INHIBITORS C4X Discovery Limited (GB) 2025-03-19 EP disclosed
WO-2023218203-A1 DIHYDROINDENE DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-11-16 WO disclosed