SCHEMBL6967328

SCHEMBL6967328

CN(C)CCN(C)Cc1cn(Cc2ccc(Cl)cc2)nc1CN1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.36
SIGMAR1 Q99720 4/20 0.36
DRD4 P21917 5/20 0.34
DRD3 P35462 4/20 0.34
DRD2 P14416 3/20 0.34
HTR6 P50406 1/20 0.34
SSTR5 P35346 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR7 P34969 1/20 0.33
OPRL1 P41146 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT1 Q99873 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 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
SCHEMBL6967295 0.84 CCR3 (0.42) CCR3SIGMAR1DRD4DRD3DRD2
SCHEMBL6976709 0.83 CCR3 (0.45) CCR3SIGMAR1DRD4DRD3DRD2
SCHEMBL6969244 0.82 CHKA (0.45) SIGMAR1DRD4DRD3DRD2ALDH1A1
SCHEMBL6973584 0.81 SIGMAR1 (0.40) CCR3SIGMAR1DRD4DRD3DRD2
SCHEMBL6977411 0.80 CCR3 (0.41) CCR3SIGMAR1DRD4DRD3DRD2
SCHEMBL6975673 0.80 CYP2D6 (0.45) CCR3DRD4DRD3DRD2ALDH1A1
SCHEMBL6976705 0.77 CHRM4 (0.42) CCR3ALDH1A1MEN1KMT2A
SCHEMBL6973199 0.77 CYP3A4 (0.36) CCR3SIGMAR1DRD4DRD3DRD2
SCHEMBL6968225 0.76 SMN1; SMN2 (0.42) CCR3SIGMAR1DRD4DRD3DRD2
SCHEMBL6968412 0.76 OPRL1 (0.39) CCR3SIGMAR1DRD4DRD3DRD2

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