SCHEMBL6967508

SCHEMBL6967508

Clc1ccc(Cn2cc(CNCCN3CCCC3)c(CN3CCC(c4ccccc4)(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.41
APP P05067 2/20 0.39
SIGMAR1 Q99720 6/20 0.38
CCR3 P51677 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRA1A P35348 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
C5AR1 P21730 1/20 0.34
CXCR4 P61073 1/20 0.34

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
SCHEMBL6978231 0.92 L3MBTL1 (0.40) APPSIGMAR1ALDH1A1CYP3A4CYP2D6
SCHEMBL6966441 0.86 OPRL1 (0.38) CCR3ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6967295 0.85 CCR3 (0.42) SIGMAR1CCR3ALDH1A1KDM4EC5AR1
SCHEMBL6966767 0.84 LSS (0.37) SIGMAR1CCR3CYP3A4CYP2D6SMN1; SMN2
SCHEMBL6968412 0.84 OPRL1 (0.39) SIGMAR1CCR3NPSR1SMN1; SMN2
SCHEMBL6975759 0.84 KDM4E (0.38) CCR3ALDH1A1CYP2D6KDM4EGAA
SCHEMBL6976709 0.82 CCR3 (0.45) SIGMAR1CCR3CYP3A4CYP2D6KDM4E
SCHEMBL6969244 0.81 CHKA (0.45) SIGMAR1ALDH1A1KDM4E
SCHEMBL6977411 0.81 CCR3 (0.41) SIGMAR1CCR3ALDH1A1KDM4E
SCHEMBL6973584 0.80 SIGMAR1 (0.40) SIGMAR1CCR3ALDH1A1KDM4EC5AR1

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