SCHEMBL6969877

SCHEMBL6969877

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
PDK2 Q15119 1/20 0.39
PTGER1 P34995 4/20 0.39
MGLL Q99685 2/20 0.38
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
IP6K1 Q92551 1/20 0.36
FAAH O00519 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
TP53 P04637 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
OPRD1 P41143 1/20 0.35
ADRA1A P35348 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 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 0.91 MGLL (0.45) PTGER1MGLLPTGDR2
SCHEMBL6976701 0.90 PTGER1 (0.42) PTGER1MGLLIP6K1PTGDR2OPRD1
SCHEMBL6973204 0.89 MEN1 (0.39) MCHR1PTGER1MGLLPTGDR2OPRD1
Hydrochloric Acid SCHEMBL6977813 0.88 MEN1 (0.38) MCHR1PTGER1MGLLPTGDR2OPRD1
SCHEMBL6968399 0.87 KMT2A (0.40) PTGER1MGLLPTGDR2OPRD1ALDH1A1
SCHEMBL6977878 0.84 KDM4E (0.40) PTGER1MAPTCYP2D6OPRD1ADRA1A
SCHEMBL6967737 0.83 MGLL (0.36) PTGER1MGLLMAPTIP6K1PTGDR2
Hydrochloric Acid SCHEMBL6969218 0.83 KDM4E (0.39) PTGER1MAPTCYP2D6OPRD1ADRA1A
SCHEMBL6974047 0.83 PTGER1 (0.37) PTGER1MGLLMAPTCYP2D6IP6K1
SCHEMBL6967538 0.82 HTR1A (0.37) PTGER1MGLLCYP1A2CYP2D6ADRA1A

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