SCHEMBL11436157

SCHEMBL11436157

CCCOC1CCCC1N(C(=O)C1CCC(C(F)(F)F)C1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ FASN P49327 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ IDH2 P48735 1/20 0.32
▸ PKM P14618 1/20 0.31

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
SCHEMBL11437980 0.77 OPRM1 (0.36) OPRM1OPRK1OPRD1ALDH1A1MEN1
SCHEMBL11447045 0.76 CHRM2 (0.40) CHRM2CHRM3FASNALDH1A1MEN1
SCHEMBL11330925 0.75 KMT2A (0.39) CHRM2CHRM3FASNALDH1A1MEN1
SCHEMBL11507801 0.74 CHRM2 (0.38) OPRM1CHRM2CHRM3FASNALDH1A1
SCHEMBL11472504 0.72 MEN1 (0.37) CHRM2CHRM3FASNALDH1A1MEN1
SCHEMBL11443811 0.70 ALDH1A1 (0.39) OPRM1OPRK1OPRD1CHRM2CHRM3
SCHEMBL11446778 0.70 OPRM1 (0.38) OPRM1OPRK1OPRD1CHRM2CHRM3
SCHEMBL11442496 0.69 CHRM2 (0.37) OPRM1OPRK1OPRD1CHRM2CHRM3
SCHEMBL11446724 0.67 CHRM2 (0.33) CHRM2CHRM3FASNKMT2AIDH2
SCHEMBL11334445 0.67 KDM4E (0.40) OPRM1OPRK1OPRD1CHRM2CHRM3

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
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
Send feedback