SCHEMBL24865417

SCHEMBL24865417

Cc1cc(N2CCCCC2)ccc1Nc1ccc2c(c1)OCC(=O)N2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
HTR1A P08908 3/20 0.40
HTR2C P28335 3/20 0.40
CYP11B2 P19099 2/20 0.40
SYK P43405 1/20 0.39
IDH1 O75874 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPK7 Q13164 1/20 0.37
F10 P00742 1/20 0.37
GFER P55789 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL30885143 1.00 GABRG2 (0.41) GABRG2GABRB3GABRA5HTR1AHTR2C
SCHEMBL30336752 0.89 GABRG2 (0.43) GABRG2GABRB3GABRA5HTR1AHTR2C
SCHEMBL24865576 0.89 GABRG2 (0.43) GABRG2GABRB3GABRA5HTR1AHTR2C
SCHEMBL24865344 0.87 CYP11B2 (0.44) GABRG2GABRB3GABRA5HTR1AHTR2C
SCHEMBL24865333 0.86 GABRG2 (0.41) GABRG2GABRB3GABRA5HTR1AHTR2C
SCHEMBL30336183 0.86 GABRG2 (0.41) GABRG2GABRB3GABRA5HTR1AHTR2C
SCHEMBL31123240 0.86 HTR1A (0.42) GABRG2GABRB3GABRA5HTR1AHTR2C
SCHEMBL24865205 0.86 HTR1A (0.42) GABRG2GABRB3GABRA5HTR1AHTR2C
SCHEMBL24865497 0.85 HTR1A (0.49) GABRG2GABRB3GABRA5HTR1AHTR2C
SCHEMBL24865535 0.84 HTR1A (0.41) GABRG2GABRB3GABRA5HTR1AHTR2C

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