SCHEMBL30748158

SCHEMBL30748158

CNC(=O)[C@H]1C[C@H](C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
CHRNA7 P36544 2/20 0.54
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
APLNR P35414 1/20 0.37
CYP2C19 P33261 3/20 0.35
GABRR1 P24046 1/20 0.35
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ACE P12821 1/20 0.33
TSHR P16473 3/20 0.32
PMP22 Q01453 2/20 0.32
GABRP O00591 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
SCHEMBL17950962 1.00 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL14341678 0.89 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6736240 0.89 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2160521 0.82 BTK (0.45) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL12563704 0.80 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL20888477 0.79 GABRR1 (0.41) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL19301951 0.79 HDAC8 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL12412968 0.78 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL23366184 0.78 CYP2C19 (0.50) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL8204743 0.78 CYP2C19 (0.50) APLNRCYP2C19GABRR1CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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