SCHEMBL6967737

SCHEMBL6967737

O=C1CCN(C(=O)COc2cc(Cl)ccc2Cn2ccc(CN3CCC(c4ccccc4)(c4ccccc4)CC3)n2)N1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.36
CXCR3 P49682 1/20 0.36
PTGER1 P34995 4/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
IP6K1 Q92551 2/20 0.34
C5AR1 P21730 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PRCP P42785 1/20 0.32

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 0.87 MGLL (0.45) MGLLPTGER1PTGDR2
SCHEMBL6976701 0.86 PTGER1 (0.42) MGLLPTGER1PTGDR2IP6K1C5AR1
SCHEMBL6969877 0.83 MCHR1 (0.39) MGLLPTGER1PTGDR2IP6K1ALDH1A1
SCHEMBL6973204 0.83 MEN1 (0.39) MGLLPTGER1PTGDR2ALDH1A1GAA
Hydrochloric Acid SCHEMBL6977813 0.83 MEN1 (0.38) MGLLPTGER1PTGDR2ALDH1A1GAA
SCHEMBL6968399 0.82 KMT2A (0.40) MGLLPTGER1PTGDR2ALDH1A1GAA
SCHEMBL6977878 0.79 KDM4E (0.40) PTGER1C5AR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6969218 0.79 KDM4E (0.39) PTGER1C5AR1ALDH1A1MAPT
SCHEMBL6974047 0.78 PTGER1 (0.37) MGLLPTGER1IP6K1C5AR1ALDH1A1
SCHEMBL6967538 0.77 HTR1A (0.37) MGLLPTGER1C5AR1

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