SCHEMBL24782831

SCHEMBL24782831

CC(C)N1CCc2c(CN3CCOCC3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 7/20 0.49
CYP2C9 P11712 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CXCR4 P61073 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AKT1 P31749 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL21646413 0.87 KDM4E (0.42) ALDH1A1KDM4EMEN1KMT2ADRD2
SCHEMBL23639206 0.83 KDM4E (0.32) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23432293 0.82 CYP2A13 (0.53) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
SCHEMBL24783565 0.79 PDCD1 (0.40) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23639081 0.79 L3MBTL1 (0.43) ALOX15HSD17B10ALDH1A1KDM4EAKT1
SCHEMBL20353869 0.78 HTR2C (0.40) ALDH1A1DRD2DRD4DRD3
SCHEMBL24329575 0.77 GABRA1 (0.42) CYP2D6
SCHEMBL24783956 0.77 NCF1 (0.38) CYP2D6
SCHEMBL24784315 0.77 AKT1 (0.35) AKT1DRD2DRD4
SCHEMBL21646408 0.75 LTA4H (0.40) MEN1KMT2A

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
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed