SCHEMBL25660845

SCHEMBL25660845

O=C(NCC(F)(F)F)C1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.41
DRD4 P21917 6/20 0.41
DRD2 P14416 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLS O94925 1/20 0.38
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
MAPK10 P53779 2/20 0.34
MAPK8 P45983 1/20 0.34
MAPK14 Q16539 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
EPHX2 P34913 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNH2 Q12809 1/20 0.33
PSMB8 P28062 2/20 0.33
PSMB5 P28074 2/20 0.33

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
SCHEMBL28361513 0.80 SMN1; SMN2 (0.45) HTR1ADRD4DRD2SMN1; SMN2HSD17B10
SCHEMBL2585149 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10KMT2AACKR3JAK2
SCHEMBL3663509 0.78 GLS (0.41) HTR1ADRD4DRD2GLSMAPK10
Hydrochloric Acid SCHEMBL15826105 0.77 SMN1; SMN2 (0.52) SMN1; SMN2HSD17B10KMT2AACKR3JAK2
SCHEMBL47362 0.77 GLS (0.40) HTR1ADRD4DRD2SMN1; SMN2HSD17B10
SCHEMBL13702331 0.77 HTR1A (0.41) HTR1ADRD4DRD2SMN1; SMN2HSD17B10
SCHEMBL14808770 0.76 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10CTSLEPHX2KMT2A
SCHEMBL28364983 0.75 SMN1; SMN2 (0.41) HTR1ADRD4DRD2SMN1; SMN2HSD17B10
SCHEMBL14842997 0.74 SMN1; SMN2 (0.63) SMN1; SMN2HSD17B10CTSLEPHX2
SCHEMBL20928257 0.74 CHRNB2 (0.47) HTR1ADRD4DRD2SMN1; SMN2HSD17B10

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-4177249-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-10 EP disclosed