SCHEMBL6973204

SCHEMBL6973204

CN(C)C(=O)COc1cc(Cl)ccc1Cn1ccc(CN2CCC(c3ccccc3)(c3ccccc3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGER1 P34995 4/20 0.39
MGLL Q99685 3/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 3/20 0.35
OPRM1 P35372 1/20 0.35
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
MCHR1 Q99705 1/20 0.34
F10 P00742 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Hydrochloric Acid SCHEMBL6977813 0.99 MEN1 (0.38) MEN1KMT2APTGER1MGLLPTGDR2
SCHEMBL6968399 0.92 KMT2A (0.40) MEN1KMT2APTGER1MGLLPTGDR2
SCHEMBL6965169 0.91 MGLL (0.45) PTGER1MGLLPTGDR2
SCHEMBL6976701 0.90 PTGER1 (0.42) PTGER1MGLLPTGDR2OPRD1OPRK1
SCHEMBL6969877 0.89 MCHR1 (0.39) PTGER1MGLLPTGDR2OPRD1MCHR1
SCHEMBL6967538 0.85 HTR1A (0.37) PTGER1MGLLOPRM1F10
SCHEMBL6977878 0.84 KDM4E (0.40) MEN1KMT2APTGER1OPRD1OPRK1
SCHEMBL6967737 0.83 MGLL (0.36) PTGER1MGLLPTGDR2ALDH1A1GAA
Hydrochloric Acid SCHEMBL6969218 0.83 KDM4E (0.39) MEN1KMT2APTGER1OPRD1OPRK1
SCHEMBL6974047 0.83 PTGER1 (0.37) MEN1KMT2APTGER1MGLLOPRD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US claimed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP claimed
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US disclosed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP disclosed