SCHEMBL24865145

SCHEMBL24865145

CC1CN(c2ccc(Nc3ccc4c(c3)OCC(=O)N4C)cc2F)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
SYK P43405 1/20 0.39
IDH1 O75874 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
USP30 Q70CQ3 1/20 0.38
ALOX5 P09917 1/20 0.37
GRM4 Q14833 1/20 0.37
F10 P00742 1/20 0.36
LMNA P02545 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 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
SCHEMBL30336434 1.00 PDE3B (0.46) PDE3BPDE3AGABRG2GABRB3GABRA5
SCHEMBL24864825 0.92 GABRG2 (0.42) PDE3BPDE3AGABRG2GABRB3GABRA5
SCHEMBL24864938 0.89 GABRG2 (0.43) PDE3BPDE3AGABRG2GABRB3GABRA5
SCHEMBL24865150 0.89 PDE3B (0.41) PDE3BPDE3AGABRG2GABRB3GABRA5
SCHEMBL30336508 0.89 PDE3B (0.41) PDE3BPDE3AGABRG2GABRB3GABRA5
SCHEMBL30336842 0.88 GABRG2 (0.44) PDE3BPDE3AGABRG2GABRB3GABRA5
SCHEMBL24865282 0.88 GABRG2 (0.44) PDE3BPDE3AGABRG2GABRB3GABRA5
SCHEMBL30336463 0.88 GABRG2 (0.44) PDE3BPDE3AGABRG2GABRB3GABRA5
SCHEMBL24864952 0.88 GABRG2 (0.44) PDE3BPDE3AGABRG2GABRB3GABRA5
SCHEMBL24864968 0.87 GABRG2 (0.44) PDE3BPDE3AGABRG2GABRB3GABRA5

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
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed