SCHEMBL8410491

SCHEMBL8410491

CCCN1C(N2CCN(c3ccc(F)cc3)CC2)C(O)c2ccccc2S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 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
SCHEMBL8413134 0.85 TP53 (0.39) TP53SMN1; SMN2NPC1LMNARAB9A
SCHEMBL8413103 0.83 L3MBTL1 (0.41) TP53SMN1; SMN2NPC1LMNARAB9A
SCHEMBL8412328 0.80 NPC1 (0.41) TP53SMN1; SMN2NPC1LMNARAB9A
SCHEMBL8412378 0.78 TP53 (0.45) TP53SMN1; SMN2NPC1LMNARAB9A
SCHEMBL8413577 0.77 MAPT (0.40) NPC1LMNAUSP2MAPK1MAPT
SCHEMBL8413528 0.77 TP53 (0.53) TP53HTR1AHTR7DRD2DRD4
SCHEMBL8411656 0.76 L3MBTL1 (0.42) SMN1; SMN2LMNAHTR1AHTR7ADRA2A
SCHEMBL8413001 0.75 L3MBTL1 (0.41) SMN1; SMN2LMNAHTR1AHTR7ADRA2A
SCHEMBL8412349 0.74 L3MBTL1 (0.42) SMN1; SMN2LMNAHTR1AHTR7ADRA2A
SCHEMBL8413761 0.74 HTR7 (0.39) TP53SMN1; SMN2NPC1LMNARAB9A

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
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed