SCHEMBL6851497

SCHEMBL6851497

O=C(OC1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1)N(CCc1ccccc1)Cc1ccccc1.O=C(OC1=NOC2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PRCP P42785 2/20 0.37
LIPE Q05469 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CHRM5 P08912 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6410109 0.92 MEN1 (0.45) OPRM1OPRD1MEN1KMT2ACRHBP
SCHEMBL6410158 0.91 OPRM1 (0.43) OPRM1OPRD1MEN1KMT2ACRHBP
SCHEMBL6409491 0.81 CRHBP (0.48) OPRM1OPRD1MEN1KMT2ACRHBP
SCHEMBL2405022 0.81 MEN1 (0.46) OPRM1OPRD1MEN1KMT2ACRHBP
SCHEMBL2404639 0.78 OPRM1 (0.47) OPRM1OPRD1MEN1KMT2ACRHBP
SCHEMBL6411587 0.76 HSD17B10 (0.48) KMT2AALDH1A1SMN1; SMN2
SCHEMBL6412295 0.75 MEN1 (0.52) MEN1KMT2APRCPLIPEALDH1A1
SCHEMBL6410676 0.74 MEN1 (0.41) MEN1KMT2APRCPLIPECHRM5
SCHEMBL6410287 0.74 HSD17B10 (0.45) MEN1KMT2ACRHBPCRHR2CHRM5
SCHEMBL6417412 0.73 ATM (0.51) KMT2AALDH1A1SMN1; SMN2

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
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP claimed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO claimed