SCHEMBL6969018

SCHEMBL6969018

Clc1ccc(Cn2cnc(CN3CCC(c4ccccc4)(c4ccccc4)CC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.45
SIGMAR1 Q99720 4/20 0.44
OPRL1 P41146 3/20 0.40
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.38
CXCR3 P49682 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
OPRM1 P35372 1/20 0.38

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 SCHEMBL6979143 0.99 CCR3 (0.44) CCR3SIGMAR1OPRL1DRD4DRD2
SCHEMBL11743900 0.82 SIGMAR1 (0.66) CCR3SIGMAR1OPRL1DRD4POLB
SCHEMBL6964254 0.79 HRH4 (0.57) CCR3SIGMAR1
SCHEMBL6976116 0.77 CCR3 (0.46) CCR3SIGMAR1OPRL1DRD4DRD2
Hydrochloric Acid SCHEMBL6971416 0.76 CCR3 (0.45) CCR3SIGMAR1OPRL1DRD4DRD2
SCHEMBL6969667 0.76 CCR3 (0.43) CCR3SIGMAR1OPRL1DRD4DRD2
Hydrochloric Acid SCHEMBL6978470 0.75 CCR3 (0.42) CCR3SIGMAR1OPRL1DRD4DRD2
SCHEMBL6952807 0.74 SIGMAR1 (0.45) SIGMAR1POLBMEN1KMT2AMAPT
SCHEMBL11738755 0.73 OPRL1 (0.69) CCR3SIGMAR1OPRL1DRD4DRD2
SCHEMBL9023871 0.72 SIGMAR1 (0.44) SIGMAR1POLBMEN1KMT2AMAPT

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 6 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
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