SCHEMBL6974047

SCHEMBL6974047

CC(Oc1cc(Cl)ccc1Cn1ccc(CN2CCC(c3ccccc3)(c3ccccc3)CC2)n1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.37
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
F10 P00742 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
CCR8 P51685 2/20 0.34
KCNH2 Q12809 2/20 0.34
KDM4E B2RXH2 1/20 0.34
C5AR1 P21730 1/20 0.34
IP6K1 Q92551 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.85 PTGER1 (0.42) PTGER1OPRD1OPRK1F10JAK2
SCHEMBL6977878 0.85 KDM4E (0.40) PTGER1OPRD1OPRK1F10ALDH1A1
SCHEMBL6965169 0.84 MGLL (0.45) PTGER1MGLL
Hydrochloric Acid SCHEMBL6969218 0.84 KDM4E (0.39) PTGER1OPRD1OPRK1F10ALDH1A1
SCHEMBL6969877 0.83 MCHR1 (0.39) PTGER1OPRD1ALDH1A1CYP2D6IP6K1
SCHEMBL6973204 0.83 MEN1 (0.39) PTGER1OPRD1OPRK1F10ALDH1A1
Hydrochloric Acid SCHEMBL6977813 0.82 MEN1 (0.38) PTGER1OPRD1OPRK1F10ALDH1A1
SCHEMBL6968399 0.81 KMT2A (0.40) PTGER1OPRD1OPRK1ALDH1A1MEN1
SCHEMBL6969273 0.80 ALDH1A1 (0.39) PTGER1JAK2JAK1ALDH1A1CYP2D6
SCHEMBL6972327 0.80 SIGMAR1 (0.49) ALDH1A1KDM4EC5AR1IP6K1MAPT

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 6 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
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP claimed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO 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