SCHEMBL6969631

SCHEMBL6969631

Cn1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)cnc1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.44
CCR3 P51677 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
DRD4 P21917 4/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DRD3 P35462 3/20 0.36
NR1I2 O75469 1/20 0.36
DRD2 P14416 2/20 0.36
POLB P06746 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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 SCHEMBL6972117 0.99 HSD11B1 (0.44) HSD11B1CCR3SIGMAR1MEN1KMT2A
SCHEMBL6969667 0.79 CCR3 (0.43) HSD11B1CCR3SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6978470 0.78 CCR3 (0.42) HSD11B1CCR3SIGMAR1MEN1KMT2A
SCHEMBL11743900 0.78 SIGMAR1 (0.66) CCR3SIGMAR1MEN1KMT2ADRD4
SCHEMBL6966719 0.75 CCR3 (0.45) HSD11B1CCR3SIGMAR1MEN1KMT2A
SCHEMBL6971715 0.75 CCR3 (0.43) HSD11B1CCR3SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6981953 0.74 CCR3 (0.42) HSD11B1CCR3SIGMAR1MEN1KMT2A
SCHEMBL6969018 0.70 CCR3 (0.45) CCR3SIGMAR1MEN1KMT2AMAPT
SCHEMBL6975989 0.70 RAB9A (0.59) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6975096 0.70 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1HTT

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