SCHEMBL6969667

SCHEMBL6969667

Cn1cc(CN2CCC(c3ccccc3)(c3ccccc3)CC2)nc1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
HSD11B1 P28845 1/20 0.41
OPRL1 P41146 2/20 0.40
DRD4 P21917 6/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
OPRM1 P35372 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADRA1A P35348 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1B P35368 1/20 0.37
POLB P06746 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37

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
Hydrochloric Acid SCHEMBL6978470 0.99 CCR3 (0.42) CCR3SIGMAR1HSD11B1OPRL1DRD4
SCHEMBL6969631 0.79 HSD11B1 (0.44) CCR3SIGMAR1HSD11B1OPRL1DRD4
SCHEMBL11743900 0.79 SIGMAR1 (0.66) CCR3SIGMAR1OPRL1DRD4OPRM1
Hydrochloric Acid SCHEMBL6972117 0.78 HSD11B1 (0.44) CCR3SIGMAR1HSD11B1OPRL1DRD4
SCHEMBL6969018 0.76 CCR3 (0.45) CCR3SIGMAR1OPRL1DRD4DRD2
SCHEMBL6964254 0.76 HRH4 (0.57) CCR3SIGMAR1
Hydrochloric Acid SCHEMBL6979143 0.75 CCR3 (0.44) CCR3SIGMAR1OPRL1DRD4DRD2
SCHEMBL6976116 0.74 CCR3 (0.46) CCR3SIGMAR1OPRL1DRD4DRD2
Hydrochloric Acid SCHEMBL6971416 0.74 CCR3 (0.45) CCR3SIGMAR1OPRL1DRD4DRD2
SCHEMBL6975096 0.73 ALDH1A1 (0.53) ALDH1A1HTTLMNATSHRTDP1

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 8 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
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO disclosed