SCHEMBL11434872

SCHEMBL11434872

O=C(CCBr)N(c1ccccc1)C1CC(Br)CC1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.37
▸ CHRM3 P20309 2/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ OPRD1 P41143 5/20 0.36
▸ OPRM1 P35372 5/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL11446905 0.78 MEN1 (0.38) CHRM2CHRM3OPRD1OPRM1OPRK1
SCHEMBL11434686 0.77 OPRM1 (0.43) CHRM3CHRM1OPRD1OPRM1OPRK1
SCHEMBL11434873 0.77 CHRM2 (0.42) CHRM2CHRM3CHRM5CHRM1OPRD1
SCHEMBL11447936 0.76 SIGMAR1 (0.41) CHRM2CHRM3OPRD1OPRM1OPRK1
SCHEMBL11454799 0.75 OPRM1 (0.41) CHRM2CHRM3CHRM1OPRD1OPRM1
SCHEMBL11331578 0.71 ALDH1A1 (0.40) CHRM2CHRM3OPRD1OPRM1OPRK1
SCHEMBL11436426 0.71 MLYCD (0.42) CHRM2CHRM3CHRM5CHRM1OPRD1
SCHEMBL11436432 0.71 ALDH1A1 (0.36) CHRM2CHRM3OPRD1MEN1KMT2A
SCHEMBL11436258 0.71 OPRM1 (0.41) CHRM3CHRM1OPRD1OPRM1OPRK1
SCHEMBL11350690 0.69 L3MBTL1 (0.41) CHRM2CHRM3CHRM1OPRD1OPRM1

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-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
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