SCHEMBL24865680

SCHEMBL24865680

Cc1cc2c(cc1Nc1ccc(N3CCC(C(F)(F)F)CC3)cc1)OCC(=O)N2C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
HTR2C P28335 2/20 0.38
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
TRPV1 Q8NER1 3/20 0.34
GRM4 Q14833 1/20 0.34
SYK P43405 2/20 0.33
F10 P00742 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MAPK14 Q16539 1/20 0.32
USP30 Q70CQ3 1/20 0.32
DCLK1 O15075 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL31123253 0.91 HTR1A (0.40) HTR1AHTR2CGABRG2GABRB3GABRA5
SCHEMBL24865162 0.91 HTR1A (0.40) HTR1AHTR2CGABRG2GABRB3GABRA5
SCHEMBL31123284 0.91 HTR1A (0.40) HTR1AHTR2CGABRG2GABRB3GABRA5
SCHEMBL24865392 0.91 HTR1A (0.40) HTR1AHTR2CGABRG2GABRB3GABRA5
SCHEMBL24865168 0.90 HTR1A (0.37) HTR1AHTR2CGABRG2GABRB3GABRA5
SCHEMBL30336317 0.90 HTR1A (0.37) HTR1AHTR2CGABRG2GABRB3GABRA5
SCHEMBL24865554 0.90 HTR1A (0.37) HTR1AHTR2CGABRG2GABRB3GABRA5
SCHEMBL31123240 0.87 HTR1A (0.42) HTR1AHTR2CGABRG2GABRB3GABRA5
SCHEMBL24865205 0.87 HTR1A (0.42) HTR1AHTR2CGABRG2GABRB3GABRA5
SCHEMBL24864950 0.86 GABRG2 (0.44) HTR1AHTR2CGABRG2GABRB3GABRA5

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