SCHEMBL5493044

SCHEMBL5493044

CCOC(=O)N1CCC(N2CCC(=C(c3ccccc3)c3ccc(-c4ccccc4)cc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRM1 P11229 3/20 0.48
CHRM2 P08172 3/20 0.48
CHRM5 P08912 2/20 0.48
CHRM3 P20309 2/20 0.48
CHRM4 P08173 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
ACHE P22303 2/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5496259 0.94 OPRM1 (0.52) OPRM1OPRD1OPRK1SMN1; SMN2GAA
SCHEMBL5492164 0.89 TSHR (0.51) OPRD1OPRK1GAAL3MBTL1KDM4E
SCHEMBL4693977 0.82 TSHR (0.57) OPRD1OPRK1SMN1; SMN2GAAL3MBTL1
Carbamic Acid SCHEMBL4082824 0.79 TSHR (0.53) OPRD1OPRK1SMN1; SMN2GAAL3MBTL1
SCHEMBL5494970 0.77 MGLL (0.60) GAACHRM2KDM4EHTTKMT2A
SCHEMBL8490392 0.73 CHRM1 (0.62) SMN1; SMN2GAAALOX12L3MBTL1CHRM1
SCHEMBL13698470 0.72 SMN1; SMN2 (0.74) SMN1; SMN2GAAALOX12L3MBTL1CHRM1
SCHEMBL17363126 0.72 CHRM2 (0.54) SMN1; SMN2GAAALOX12L3MBTL1CHRM1
SCHEMBL9047536 0.71 ALDH1A1 (0.58) OPRM1OPRD1SMN1; SMN2GAACHRM1
SCHEMBL4917867 0.71 OPRD1 (1.00) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066259-B1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-01-10 EP disclosed
US-6440440-B1 BACTERICIDES, FUNGICIDES, NEMATOCIDES, MITICIDES, INSECTICIDES, AND HERBICIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-08-27 US disclosed