SCHEMBL6976701

SCHEMBL6976701

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.42
MGLL Q99685 2/20 0.39
PTGDR2 Q9Y5Y4 6/20 0.39
F10 P00742 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
C5AR1 P21730 1/20 0.35
IP6K1 Q92551 2/20 0.35
CCR8 P51685 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6965169 0.94 MGLL (0.45) PTGER1MGLLPTGDR2
SCHEMBL6973204 0.90 MEN1 (0.39) PTGER1MGLLPTGDR2F10OPRD1
SCHEMBL6969877 0.90 MCHR1 (0.39) PTGER1MGLLPTGDR2OPRD1IP6K1
Hydrochloric Acid SCHEMBL6977813 0.89 MEN1 (0.38) PTGER1MGLLPTGDR2F10OPRD1
SCHEMBL6968399 0.88 KMT2A (0.40) PTGER1MGLLPTGDR2OPRD1OPRK1
SCHEMBL6967737 0.86 MGLL (0.36) PTGER1MGLLPTGDR2C5AR1IP6K1
SCHEMBL6974047 0.85 PTGER1 (0.37) PTGER1MGLLF10JAK2JAK1
SCHEMBL6977878 0.85 KDM4E (0.40) PTGER1F10OPRD1OPRK1C5AR1
Hydrochloric Acid SCHEMBL6969218 0.84 KDM4E (0.39) PTGER1F10OPRD1OPRK1C5AR1
SCHEMBL6967538 0.83 HTR1A (0.37) PTGER1MGLLF10C5AR1KCNH2

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