SCHEMBL9404358

SCHEMBL9404358

CCCCc1cc(C2=C(Cl)CCN(OC(=O)C(=O)ON3CCC(Cl)=C(c4cc(CCCC)on4)C3)C2)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.37
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 3/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
STAT3 P40763 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC6 Q9UBN7 2/20 0.30
MAPT P10636 2/20 0.30
HDAC1 Q13547 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9404276 0.85 PRMT5 (0.34) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL9404370 0.78 CHRM2 (0.41) PPARAHPGDRAB9ACHRM2CHRM4
SCHEMBL9404353 0.78 TP53 (0.40) PPARADRD2DRD4DRD3MAPT
Oxalic Acid SCHEMBL9404355 0.73 PPARA (0.41) PPARAALDH1A1MAPK1SMN1; SMN2HPGD
Oxalic Acid SCHEMBL9404275 0.67 CHRM2 (0.42) ALDH1A1RAB9AMAPTMEN1HTT
SCHEMBL9404305 0.65 PPARA (0.34) PPARADRD2DRD4DRD3ALDH1A1
SCHEMBL9404576 0.63 PPARA (0.34) PPARAALDH1A1MAPK1HSD17B10TSHR
Oxalic Acid SCHEMBL9404570 0.63 PPARA (0.38) PPARADRD2DRD4DRD3ALDH1A1
SCHEMBL9404481 0.62 CHRM1 (0.41) ALDH1A1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL10469531 0.61 PPARA (0.46) PPARAALDH1A1MAPK1SMN1; SMN2HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356912-A 3-(5-isoxazolyl)-1-methyl-1,2,3,6-tetrahydropyridine useful for treating Alzheimer's disease NOVO NORDISK A/S (DK) 1994-10-18 US disclosed
US-5262427-A Cognition activators for Alzheimer*s disease NOVO NORDISK A/S (DK) 1993-11-16 US disclosed
EP-0316718-A2 Azacyclic compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-24 EP disclosed