SCHEMBL6973584

SCHEMBL6973584

O=CN1CCN(Cc2cn(Cc3ccc(Cl)cc3)nc2CN2CCC(c3ccccc3)(c3ccccc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
CCR3 P51677 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.37
C5AR1 P21730 1/20 0.37
SSTR5 P35346 2/20 0.36
DRD4 P21917 4/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
GPR183 P32249 1/20 0.36
CXCR3 P49682 1/20 0.36
PRCP P42785 1/20 0.35
ADORA1 P30542 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
SCHEMBL6967295 0.90 CCR3 (0.42) SIGMAR1CCR3KDM4EALDH1A1C5AR1
SCHEMBL6977411 0.87 CCR3 (0.41) SIGMAR1CCR3KDM4EALDH1A1SSTR5
SCHEMBL6975673 0.87 CYP2D6 (0.45) CCR3KDM4EALDH1A1DRD4DRD2
SCHEMBL6976709 0.86 CCR3 (0.45) SIGMAR1CCR3KDM4ESSTR5DRD4
SCHEMBL6969244 0.85 CHKA (0.45) SIGMAR1KDM4EALDH1A1DRD4DRD2
SCHEMBL6968225 0.83 SMN1; SMN2 (0.42) SIGMAR1CCR3ALDH1A1SSTR5DRD4
SCHEMBL6968412 0.83 OPRL1 (0.39) SIGMAR1CCR3SSTR5DRD4DRD2
SCHEMBL6976705 0.82 CHRM4 (0.42) CCR3ALDH1A1CXCR3
SCHEMBL6966441 0.81 OPRL1 (0.38) CCR3C5AR1SSTR5DRD4DRD2
SCHEMBL6967328 0.81 CCR3 (0.36) SIGMAR1CCR3ALDH1A1SSTR5DRD4

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