SCHEMBL24426129

SCHEMBL24426129

CCOc1ccc(CNCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
CCR3 P51677 1/20 0.45
HTR7 P34969 2/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR6 P50406 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL18313841 0.79 ALDH1A1 (0.59) ALDH1A1CCR3KMT2AMEN1SMN1; SMN2
SCHEMBL2954759 0.66 SSTR5 (0.68) CCR3DRD2KMT2AMEN1CYP3A4
SCHEMBL28591741 0.66 HTR7 (0.64) ALDH1A1HTR7HTR1ADRD2HTR6
SCHEMBL363351 0.65 NPC1 (0.60) ALDH1A1CCR3KMT2AMEN1SMN1; SMN2
SCHEMBL16828026 0.65 KMT2A (0.79) CCR3KMT2AMEN1POLBL3MBTL1
SCHEMBL24267995 0.64 GAA (0.56) ALDH1A1CCR3KMT2AMEN1SMN1; SMN2
SCHEMBL23462319 0.63 NPC1 (0.55) ALDH1A1CCR3KMT2AMEN1SMN1; SMN2
SCHEMBL23462320 0.63 NPC1 (0.55) ALDH1A1CCR3KMT2AMEN1SMN1; SMN2
SCHEMBL31188489 0.63 NPC1 (0.56) ALDH1A1CCR3HTR7HTR1ADRD2
SCHEMBL31188531 0.63 NPC1 (0.56) ALDH1A1CCR3HTR7HTR1ADRD2

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-3307742-B1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE INC (US) 2022-05-18 EP disclosed