SCHEMBL11434686

SCHEMBL11434686

CCOC1CC(Br)CC1N(C(=O)CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ OPRD1 P41143 4/20 0.42
▸ OPRK1 P41145 3/20 0.42
▸ SLC22A1 O15245 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41

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
SCHEMBL11436258 0.88 OPRM1 (0.41) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11437818 0.83 OPRM1 (0.45) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11456889 0.83 OPRM1 (0.45) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11437893 0.83 OPRM1 (0.45) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11434872 0.77 CHRM2 (0.37) OPRM1OPRD1OPRK1CHRM1CHRM3
SCHEMBL11334216 0.75 OPRM1 (0.44) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11450496 0.75 ALDH1A1 (0.39) OPRM1SIGMAR1OPRD1OPRK1CHRM3
SCHEMBL11339568 0.75 OPRM1 (0.44) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11436715 0.73 OPRM1 (0.55) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11465430 0.72 KDM4E (0.35) OPRM1SIGMAR1OPRD1OPRK1

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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