SCHEMBL24865282

SCHEMBL24865282

CN1C(=O)COc2cc(Nc3ccc(N4CC5CCC(C4)O5)c(F)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
SYK P43405 2/20 0.41
IDH1 O75874 1/20 0.38
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
ALOX5 P09917 1/20 0.37
GRM4 Q14833 1/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
F10 P00742 1/20 0.35
HTR1A P08908 2/20 0.35
HTR2C P28335 2/20 0.35
PGR P06401 1/20 0.34

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
SCHEMBL30336842 1.00 GABRG2 (0.44) GABRG2GABRB3GABRA5SYKIDH1
SCHEMBL24864938 0.95 GABRG2 (0.43) GABRG2GABRB3GABRA5SYKIDH1
SCHEMBL24865145 0.88 PDE3B (0.46) GABRG2GABRB3GABRA5SYKIDH1
SCHEMBL30336434 0.88 PDE3B (0.46) GABRG2GABRB3GABRA5SYKIDH1
SCHEMBL24865336 0.82 GABRG2 (0.43) GABRG2GABRB3GABRA5SYKIDH1
SCHEMBL30885106 0.81 GABRG2 (0.43) GABRG2GABRB3GABRA5SYKIDH1
SCHEMBL24865530 0.81 GABRG2 (0.42) GABRG2GABRB3GABRA5SYKIDH1
SCHEMBL24864825 0.80 GABRG2 (0.42) GABRG2GABRB3GABRA5SYKIDH1
SCHEMBL24865150 0.78 PDE3B (0.41) GABRG2GABRB3GABRA5SYKIDH1
SCHEMBL30336508 0.78 PDE3B (0.41) GABRG2GABRB3GABRA5SYKIDH1

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-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed