SCHEMBL11434731

SCHEMBL11434731

CCC(=O)N(c1ccccc1)[C@@H]1CCC[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.50
▸ SIGMAR1 Q99720 2/20 0.50
▸ OPRD1 P41143 4/20 0.49
▸ OPRK1 P41145 3/20 0.49
▸ SLC22A1 O15245 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48

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
SCHEMBL11434729 1.00 OPRM1 (0.50) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11437822 0.86 MEN1 (0.42) OPRM1SIGMAR1OPRD1OPRK1CHRM3
SCHEMBL11447557 0.85 OPRM1 (0.50) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11437542 0.83 MEN1 (0.46) OPRM1OPRD1OPRK1CHRM3KDM4E
SCHEMBL11437590 0.82 MEN1 (0.43) OPRM1OPRD1OPRK1CHRM3KDM4E
SCHEMBL11341610 0.81 KDM4E (0.50) OPRM1SIGMAR1OPRD1OPRK1KDM4E
SCHEMBL11549687 0.81 OPRM1 (0.49) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL18569422 0.80 KDM4E (0.72) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11436334 0.80 NPC1 (0.43) OPRM1OPRD1OPRK1CHRM3SLC6A3
SCHEMBL11443856 0.80 TACR1 (0.41) OPRM1SIGMAR1OPRD1OPRK1CHRM3

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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