SCHEMBL9257650

SCHEMBL9257650

Oc1ccc2c(c1)OC(CN1CCN(c3ccc(F)cc3)CC1)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
DRD2 P14416 2/20 0.50
ABCB1 P08183 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
DRD5 P21918 2/20 0.49
DRD1 P21728 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
GAA P10253 1/20 0.46
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44

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
SCHEMBL1044229 0.77 LTA4H (0.60) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1043285 0.76 ADRA2A (0.65) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1042245 0.76 DRD2 (0.61) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9260735 0.76 POLB (0.76) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL1871710 0.75 ADRA2A (0.68) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL5022446 0.74 ABCB1 (0.55) ALDH1A1MAPTDRD2ABCB1LMNA
SCHEMBL7937213 0.74 HTR1A (0.71) MAPTDRD2LMNADRD4DRD3
SCHEMBL29791109 0.71 ADRA2A (0.60) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL2545665 0.71 ADRA2A (0.60) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL2545666 0.71 ADRA2A (0.60) DRD2ADRA2AADRA2BADRA2CADRA1D

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-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed