SCHEMBL6969273

SCHEMBL6969273

Oc1cc(Cl)ccc1Cn1ccc(CN2CCC(c3ccccc3)(c3ccccc3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CCR3 P51677 1/20 0.38
C5AR1 P21730 1/20 0.38
DRD4 P21917 4/20 0.37
SIGMAR1 Q99720 3/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
HTR7 P34969 1/20 0.36
PTGER1 P34995 1/20 0.36
OPRL1 P41146 1/20 0.36
KCNMA1 Q12791 1/20 0.35
IP6K1 Q92551 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL6980562 0.99 ALDH1A1 (0.39) ALDH1A1CCR3C5AR1DRD4SIGMAR1
SCHEMBL6972327 0.89 SIGMAR1 (0.49) ALDH1A1C5AR1SIGMAR1IP6K1POLB
Hydrochloric Acid SCHEMBL6972316 0.88 SIGMAR1 (0.48) ALDH1A1C5AR1SIGMAR1IP6K1POLB
SCHEMBL6977878 0.85 KDM4E (0.40) ALDH1A1C5AR1DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL6969218 0.84 KDM4E (0.39) ALDH1A1C5AR1DRD4SIGMAR1DRD2
SCHEMBL6976116 0.83 CCR3 (0.46) ALDH1A1CCR3DRD4SIGMAR1DRD2
SCHEMBL6965169 0.83 MGLL (0.45) PTGER1
Hydrochloric Acid SCHEMBL6971416 0.82 CCR3 (0.45) ALDH1A1CCR3DRD4SIGMAR1DRD2
SCHEMBL6976701 0.82 PTGER1 (0.42) C5AR1JAK2JAK1PTGER1IP6K1
SCHEMBL6969059 0.82 SIGMAR1 (0.51) ALDH1A1CCR3DRD4SIGMAR1DRD2

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
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