SCHEMBL9810872

SCHEMBL9810872

COCOc1cccc(CC(C)CN2CC(C)OC(C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9164585 0.87 EBP (0.52) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9845765 0.86 EBP (0.51) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9164655 0.85 EBP (0.50) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9810850 0.84 EBP (0.53) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9810846 0.84 EBP (0.53) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9162645 0.83 EBP (0.47) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9167737 0.81 EBP (0.50) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9810867 0.78 EBP (0.57) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL14146050 0.77 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11927701 0.77 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3

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
EP-0262870-B1 MORPHOLINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-06-12 EP disclosed
US-4837236-A CONTROLLING PHYTOPATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-06 US disclosed
EP-0262870-A2 Morpholine, piperidine and tetrahydropyridine derivatives, processes for their preparation and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-06 EP disclosed