SCHEMBL6971715

SCHEMBL6971715

Clc1ccc(Cc2ncc(CN3CCC(c4ccccc4)(c4ccccc4)CC3)[nH]2)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
BRS3 P32247 1/20 0.40
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CXCR3 P49682 1/20 0.39
PRCP P42785 1/20 0.38
OPRL1 P41146 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 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 SCHEMBL6981953 0.99 CCR3 (0.42) CCR3SIGMAR1BRS3HSD11B1KDM4E
SCHEMBL11743900 0.79 SIGMAR1 (0.66) CCR3SIGMAR1KDM4ECXCR3OPRL1
SCHEMBL6975022 0.78 MMP2 (0.51) BRS3CHRM2
SCHEMBL6969631 0.75 HSD11B1 (0.44) CCR3SIGMAR1HSD11B1KDM4EMAPT
Hydrochloric Acid SCHEMBL6972117 0.74 HSD11B1 (0.44) CCR3SIGMAR1HSD11B1MAPTOPRL1
SCHEMBL6966719 0.74 CCR3 (0.45) CCR3SIGMAR1HSD11B1KDM4EMAPT
SCHEMBL6969018 0.71 CCR3 (0.45) CCR3SIGMAR1MAPTCXCR3OPRL1
SCHEMBL6969667 0.71 CCR3 (0.43) CCR3SIGMAR1HSD11B1CXCR3OPRL1
SCHEMBL6975096 0.71 ALDH1A1 (0.53) MAPTMEN1ALDH1A1TSHRKMT2A
Hydrochloric Acid SCHEMBL6979143 0.70 CCR3 (0.44) CCR3SIGMAR1MAPTCXCR3OPRL1

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