SCHEMBL6977878

SCHEMBL6977878

COc1cc(Cl)ccc1Cn1ccc(CN2CCC(c3ccccc3)(c3ccccc3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DRD4 P21917 3/20 0.39
DRD2 P14416 2/20 0.39
ALDH1A1 P00352 3/20 0.39
C5AR1 P21730 2/20 0.38
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
F10 P00742 1/20 0.37
KCNH2 Q12809 2/20 0.36
CCR8 P51685 1/20 0.36
PTGER1 P34995 1/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HRH2 P25021 1/20 0.35

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 SCHEMBL6969218 0.99 KDM4E (0.39) KDM4EMAPTMEN1KMT2ADRD4
SCHEMBL6972327 0.87 SIGMAR1 (0.49) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL6965169 0.86 MGLL (0.45) PTGER1
Hydrochloric Acid SCHEMBL6972316 0.86 SIGMAR1 (0.48) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL6967538 0.86 HTR1A (0.37) KDM4EC5AR1ADRA1AADRA1BF10
SCHEMBL6976701 0.85 PTGER1 (0.42) C5AR1F10KCNH2CCR8PTGER1
SCHEMBL6974047 0.85 PTGER1 (0.37) KDM4EMAPTMEN1KMT2ADRD4
SCHEMBL6969273 0.85 ALDH1A1 (0.39) KDM4EMEN1KMT2ADRD4DRD2
SCHEMBL6969877 0.84 MCHR1 (0.39) MAPTALDH1A1ADRA1APTGER1CYP2D6
SCHEMBL6973204 0.84 MEN1 (0.39) MEN1KMT2AALDH1A1F10PTGER1

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