SCHEMBL6975673

SCHEMBL6975673

CC(=O)N1CCN(Cc2cn(Cc3ccc(Cl)cc3)nc2CN2CCC(c3ccccc3)(c3ccccc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
HRH3 Q9Y5N1 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FAAH O00519 1/20 0.41
DRD4 P21917 2/20 0.40
NPFFR1 Q9GZQ6 2/20 0.40
NPFFR2 Q9Y5X5 2/20 0.40
GPR183 P32249 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL6973584 0.87 SIGMAR1 (0.40) KDM4EALDH1A1DRD4GPR183DRD2
SCHEMBL6967295 0.86 CCR3 (0.42) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL6977411 0.86 CCR3 (0.41) MEN1KMT2AKDM4EALDH1A1DRD4
SCHEMBL6976709 0.85 CCR3 (0.45) CYP2D6MEN1KMT2AKDM4EDRD4
SCHEMBL6969244 0.84 CHKA (0.45) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL6968412 0.81 OPRL1 (0.39) FAAHDRD4GPR183DRD2DRD3
SCHEMBL6976705 0.81 CHRM4 (0.42) MEN1KMT2AALDH1A1CCR3
SCHEMBL6966441 0.80 OPRL1 (0.38) FAAHDRD4DRD2DRD3CCR3
SCHEMBL6967328 0.80 CCR3 (0.36) CYP2D6MEN1KMT2AALDH1A1DRD4
SCHEMBL6968225 0.78 SMN1; SMN2 (0.42) ALDH1A1DRD4DRD2DRD3PKM

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