SCHEMBL6965169

SCHEMBL6965169

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

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.45
PTGDR2 Q9Y5Y4 15/20 0.43
PTGER1 P34995 3/20 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
SCHEMBL6976701 0.94 PTGER1 (0.42) MGLLPTGDR2PTGER1
SCHEMBL6973204 0.91 MEN1 (0.39) MGLLPTGDR2PTGER1
SCHEMBL6969877 0.91 MCHR1 (0.39) MGLLPTGDR2PTGER1
Hydrochloric Acid SCHEMBL6977813 0.90 MEN1 (0.38) MGLLPTGDR2PTGER1
SCHEMBL6968399 0.89 KMT2A (0.40) MGLLPTGDR2PTGER1
SCHEMBL6967737 0.87 MGLL (0.36) MGLLPTGDR2PTGER1
SCHEMBL6977878 0.86 KDM4E (0.40) PTGER1
Hydrochloric Acid SCHEMBL6969218 0.85 KDM4E (0.39) PTGER1
SCHEMBL6974047 0.84 PTGER1 (0.37) MGLLPTGER1
SCHEMBL6967538 0.83 HTR1A (0.37) MGLLPTGER1

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