SCHEMBL11434689

SCHEMBL11434689

CCOC1CCCC1N(C(=O)CC)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ OPRM1 P35372 4/20 0.35
▸ OPRD1 P41143 3/20 0.35
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL11456891 0.83 MEN1 (0.42) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11437822 0.83 MEN1 (0.42) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11436717 0.79 MEN1 (0.52) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11334220 0.79 MEN1 (0.44) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11450497 0.77 MAPK1 (0.40) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11434873 0.75 CHRM2 (0.42) MEN1KMT2ACHRM2CHRM3OPRM1
SCHEMBL11443811 0.72 ALDH1A1 (0.39) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11465431 0.72 HPGD (0.39) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11447020 0.70 OPRD1 (0.42) MEN1KMT2ASIGMAR1OPRM1OPRD1
SCHEMBL11446906 0.70 SIGMAR1 (0.39) MEN1KMT2ASIGMAR1CHRM2CHRM3

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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